%chk=000039200.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039200

0 1
 O    1.981200       1.549700      0.4562000    
 O   0.8891000     -0.4528000      0.6217000    
 O   -5.473600     -0.1161000     -0.7752000    
 N    5.145400     -0.2878000     -0.1216000    
 N  -0.2127000       1.518700      5.7000001E-03
 C    4.922300      -1.653300      0.3527000    
 C    6.007800     -0.4293000      -1.294300    
 C    6.300000      -2.287100      0.2284000    
 C    7.014600      -1.480500     -0.8515000    
 C    3.902100      0.4047000     -0.4265000    
 C    3.198100      0.9076000      0.8361000    
 C    4.026300       1.917200       1.620600    
 C   0.8704000      0.7483000      0.3820000    
 C   -1.549500       1.103700     -0.1913000    
 C   -2.518500       2.031100     -0.5745000    
 C   -1.899500     -0.2334000     -3.5999999E-03
 C   -4.187200      0.2842000     -0.5823000    
 C   -3.837300       1.621300     -0.7700000    
 C   -3.218300     -0.6432000     -0.1992000    
 C   -5.934500      -1.218800      4.1999999E-03
 C   -7.432900      -1.074600      0.2221000    
 C   -7.993500      -2.209600       1.060100    
 H    4.209300      -2.196400     -0.2809000    
 H    4.565800      -1.687000       1.386700    
 H    6.499700      0.5110000      -1.562400    
 H    5.449100     -0.7938000      -2.166000    
 H    6.851000      -2.211000       1.173200    
 H    6.231700      -3.347200     -3.6100000E-02
 H    7.329900      -2.112400      -1.687900    
 H    7.910100      -1.008900     -0.4300000    
 H    4.111800       1.281300      -1.055700    
 H    3.225300     -0.2182000      -1.026500    
 H    2.986100      7.4100003E-02   1.517200    
 H    4.271700       2.787300       1.001500    
 H    4.956500       1.480100       1.995300    
 H    3.454800       2.294100       2.476200    
 H  -2.9300001E-02   2.507000     -0.1495000    
 H   -2.258900       3.075900     -0.7243000    
 H   -1.202700      -1.007900      0.2856000    
 H   -5.451600      -1.244800      0.9899000    
 H   -5.719200      -2.150000     -0.5324000    
 H   -4.587800       2.348000      -1.068800    
 H   -3.443700      -1.697800     -7.0400000E-02
 H   -7.943700      -1.039700     -0.7475000    
 H   -7.643800     -0.1145000      0.7083000    
 H   -9.071900      -2.082700       1.197500    
 H   -7.526300      -2.235500       2.049700    
 H   -7.824600      -3.176200      0.5747000    


%chk=000039200-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039200

0 1
O 2.078407 1.689370 0.411475
O 0.989120 -0.356194 0.884362
O -5.639306 0.181795 -0.138165
N 5.196786 -0.340876 -0.254949
N -0.157941 1.579005 0.134548
C 5.007074 -1.643433 0.442280
C 5.992440 -0.673358 -1.466926
C 6.388031 -2.338812 0.308886
C 7.055920 -1.671046 -0.943274
C 3.957948 0.410416 -0.530702
C 3.398437 1.066896 0.752158
C 4.281185 2.187223 1.296243
C 0.952862 0.844779 0.508538
C -1.515038 1.148755 0.090723
C -2.492489 2.096167 -0.321124
C -1.925347 -0.162609 0.434606
C -4.259842 0.430992 -0.041375
C -3.849703 1.742808 -0.386918
C -3.290897 -0.517386 0.367757
C -6.117615 -1.167309 0.211864
C -7.637644 -1.168252 0.031600
C -8.249870 -2.547147 0.361627
H 4.209225 -2.251045 -0.055103
H 4.704018 -1.495329 1.493321
H 6.430020 0.240829 -1.906498
H 5.359812 -1.163607 -2.251223
H 7.000129 -2.162465 1.209688
H 6.272638 -3.430295 0.191042
H 7.332173 -2.408248 -1.717122
H 7.973118 -1.134424 -0.646342
H 4.184876 1.210875 -1.260539
H 3.164539 -0.241323 -0.975418
H 3.205003 0.291876 1.516120
H 4.332950 3.024349 0.576985
H 5.300552 1.790448 1.444184
H 3.895092 2.572099 2.255579
H 0.037583 2.546489 -0.131061
H -2.188987 3.115645 -0.590918
H -1.178294 -0.893020 0.752125
H -5.843401 -1.400878 1.262647
H -5.638854 -1.917981 -0.452481
H -4.607431 2.466311 -0.701955
H -3.579332 -1.536957 0.639529
H -7.872484 -0.883673 -1.011008
H -8.073986 -0.388528 0.683324
H -9.346417 -2.529303 0.232681
H -8.039513 -2.842549 1.406915
H -7.846448 -3.336280 -0.300508


