%chk=000038604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038604

0 1
 O   0.8225000      -1.014600      0.8905000    
 O  -0.2221000       2.326900       2.248400    
 O   -3.737700      -2.066800     -0.2903000    
 O   -2.527900       2.386300      0.4363000    
 O   -1.029700      -2.983400      0.2574000    
 O  -0.1323000     -1.4700000E-02  -3.030200    
 N    3.453300     -0.6063000       1.848300    
 C   0.1655000       1.722900       1.007000    
 C  -0.8500000      0.6783000      0.6619000    
 C   0.3314000       2.841800     -4.5100000E-02
 C  -0.4709000     -0.6659000      0.6190000    
 C   -2.168800       1.066500      0.3888000    
 C   0.3497000       2.360900      -1.502100    
 C   -3.111500      7.3899999E-02  6.8400003E-02
 C   -1.391600      -1.669300      0.3026000    
 C   -2.694600      -1.252800      3.5999998E-02
 C    1.418700       1.340800      -1.803900    
 C   -4.492700      5.2499998E-02 -0.2599000    
 C    1.140400      -1.300200       2.249100    
 C    2.608300      -1.685900       2.336700    
 C   -4.821500      -1.267000     -0.4677000    
 C    1.125800      0.2016000      -2.553800    
 C    2.712200       1.546200      -1.324000    
 C    2.126500     -0.7319000      -2.823900    
 C   -3.542100       2.742300       1.369300    
 C    3.712800      0.6125000      -1.593900    
 C    3.420000     -0.5265000      -2.343700    
 C  -0.5672000      -3.484100     -0.9947000    
 C    4.765600      -1.117300       1.444800    
 C    3.607800      0.4332000       2.868800    
 H    1.152900       1.289300       1.178200    
 H  -0.4642000       3.590000      6.1299998E-02
 H    1.239300       3.410400      0.1946000    
 H  -0.6435000       1.996300      -1.782100    
 H   0.5318000       3.228300      -2.150500    
 H   -5.171400      0.8884000     -0.3466000    
 H   0.9014000     -0.4460000       2.891600    
 H   0.5330000      -2.148000       2.589700    
 H   0.4543000       2.987800       2.475100    
 H    2.740900      -2.568600       1.696500    
 H    2.871100      -1.989800       3.357500    
 H   -5.736300      -1.774600     -0.7362000    
 H    2.975700       2.431700     -0.7541000    
 H    1.912300      -1.624300      -3.405800    
 H   -4.514000       2.776600      0.8706000    
 H   -3.576600       2.060200       2.225900    
 H   -3.318900       3.746000       1.743000    
 H    4.721600      0.7762000      -1.226800    
 H    4.199400      -1.253100      -2.553800    
 H  -0.3819000      -4.556300     -0.8880000    
 H   0.3691000      -2.994200      -1.278400    
 H   -1.321200      -3.334300      -1.774000    
 H    5.398700     -0.3055000       1.069900    
 H    5.289400      -1.606100       2.274400    
 H    4.664400      -1.838600      0.6262000    
 H    4.082100      5.1199999E-02   3.780300    
 H    2.648200      0.8818000       3.142500    
 H    4.225000       1.252900       2.482900    
 H  -0.1486000     -0.8597000      -3.511400    


%chk=000038604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038604

0 1
O 0.741286 -1.446474 -0.051877
O 0.959293 1.933855 1.422957
O -4.097333 -1.907185 0.911351
O -2.261967 2.428444 0.473834
O -1.309469 -3.203094 0.502933
O 1.701882 -1.081775 -2.547249
N 2.046201 -0.269299 2.658901
C 0.584570 1.350672 0.118064
C -0.683144 0.503794 0.283573
C 0.498851 2.425544 -0.977476
C -0.537302 -0.918630 0.274957
C -1.979828 1.047188 0.495078
C 0.686417 1.784943 -2.387573
C -3.073059 0.163494 0.681249
C -1.607506 -1.834758 0.472582
C -2.869641 -1.242562 0.679611
C 2.124200 1.374032 -2.695378
C -4.493343 0.372204 0.913899
C 1.491896 -2.183376 0.994392
C 2.541368 -1.323662 1.717185
C -5.066677 -0.871815 1.043455
C 2.560118 0.014796 -2.756124
C 3.082081 2.383694 -2.980057
C 3.891015 -0.295483 -3.137089
C -1.887629 3.181732 1.702115
C 4.412802 2.080976 -3.337712
C 4.816386 0.727451 -3.427363
C -2.302458 -4.121356 -0.100061
C 3.213530 0.417318 3.286674
C 1.116276 -0.797339 3.693334
H 1.400156 0.667352 -0.180754
H -0.464207 2.960599 -0.929838
H 1.308291 3.155857 -0.790792
H 0.008429 0.917496 -2.497349
H 0.368717 2.527978 -3.144080
H -5.000292 1.332791 0.961359
H 0.771327 -2.662801 1.677312
H 2.025244 -2.979446 0.446940
H 1.326224 1.127178 1.953291
H 3.176867 -0.824557 0.961827
H 3.196462 -2.044465 2.270791
H -6.080860 -1.220403 1.217588
H 2.759675 3.432538 -2.938221
H 4.169606 -1.352621 -3.201268
H -2.507902 2.839885 2.554315
H -0.812823 3.040469 1.916663
H -2.115811 4.233927 1.471582
H 5.120987 2.887064 -3.559499
H 5.840774 0.471466 -3.721757
H -1.842091 -5.117977 -0.031036
H -2.474137 -3.855461 -1.159127
H -3.255160 -4.094495 0.454362
H 2.855889 1.246296 3.920780
H 3.823707 -0.273848 3.911490
H 3.855921 0.843517 2.497512
H 1.564355 -1.630799 4.281623
H 0.183002 -1.151447 3.225703
H 0.853835 0.018844 4.387921
H 1.278899 -1.120369 -1.632924


