%chk=000125914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125914

0 1
 O   -2.573500      0.5215000      7.6800004E-02
 O   -2.924300       3.211400      0.6302000    
 O   -6.186900      0.7293000     -0.3480000    
 O    2.546200      -2.779700      0.4907000    
 O   -2.016300      -2.697100       1.061300    
 N   -1.053600      -1.181900     -0.4287000    
 N   0.2582000      -2.726800      0.7676000    
 C    1.320400      -1.180600     -0.7642000    
 C   -3.814200       1.150100     -0.2146000    
 C    2.564700     -0.6575000      -1.406800    
 C   -2.319600     -0.5627000     -0.8038000    
 C   9.6799999E-02 -0.7015000      -1.020000    
 C    3.190900      0.4653000     -0.6250000    
 C    1.452900      -2.294500      0.2122000    
 C   -1.022200      -2.228500      0.5026000    
 C   -4.004300       2.294700      0.7721000    
 C   -4.927700      0.1165000     -9.0499997E-02
 C    4.133300      0.1758000      0.3526000    
 C    2.818600       1.775900     -0.8918000    
 C    4.714000       1.216700       1.077200    
 C    3.399500       2.816600     -0.1672000    
 C    4.347200       2.536900      0.8173000    
 H   -3.775000       1.567000      -1.229200    
 H    2.339800     -0.3050000      -2.423400    
 H    3.295000      -1.462300      -1.562200    
 H   -3.063200      -1.355400     -0.7130000    
 H   -2.282600     -0.2226000      -1.845900    
 H  -3.7799999E-02  0.1137000      -1.724300    
 H   -3.999600       1.937900       1.807400    
 H   -4.935500       2.839100      0.5908000    
 H   -4.950900     -0.3325000      0.9083000    
 H   -4.860100     -0.6957000     -0.8158000    
 H   0.3176000      -3.487400       1.439000    
 H    4.434600     -0.8463000      0.5609000    
 H    2.081400       2.006100      -1.656000    
 H    5.453300      0.9992000       1.842700    
 H    3.113900       3.844800     -0.3695000    
 H    4.799700       3.347400       1.381200    
 H   -2.100800       2.717900      0.7852000    
 H   -6.151600       1.106400      -1.243700    


%chk=000125914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125914

0 1
O -2.745983 -0.157563 0.500585
O -1.252860 2.223036 -0.309460
O -5.564881 2.037995 -0.729878
O 2.858080 -2.692710 -0.284268
O -1.503320 -3.745278 1.018487
N -1.160438 -1.792537 -0.267004
N 0.659534 -3.168906 0.328784
C 1.094839 -1.146887 -0.955235
C -3.372590 0.940512 -0.275944
C 2.062875 -0.164185 -1.595784
C -2.587976 -1.433697 -0.193195
C -0.261623 -0.932632 -0.908880
C 2.622590 0.839357 -0.580168
C 1.639305 -2.351522 -0.307000
C -0.724154 -2.961586 0.412076
C -2.654114 2.232307 0.129344
C -4.886566 0.977235 0.029055
C 3.723608 0.491788 0.244558
C 2.027001 2.118383 -0.429639
C 4.217747 1.406976 1.201333
C 2.522148 3.033709 0.528156
C 3.618955 2.680368 1.347698
H -3.205083 0.766849 -1.363586
H 1.549706 0.378545 -2.410100
H 2.892149 -0.741906 -2.041655
H -3.080864 -2.232999 0.382339
H -3.007019 -1.367491 -1.217439
H -0.710917 -0.039841 -1.355469
H -2.732520 2.371031 1.226368
H -3.131377 3.088258 -0.373993
H -5.051701 1.231911 1.088818
H -5.335862 -0.019187 -0.164261
H 1.006579 -4.012482 0.797025
H 4.179010 -0.499353 0.137746
H 1.183675 2.410396 -1.068164
H 5.070360 1.127238 1.830673
H 2.055318 4.020304 0.627164
H 4.005224 3.389968 2.088141
H -0.716642 1.687771 0.329202
H -5.623916 1.779025 -1.683931


