%chk=000172818.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172818

0 1
 O    4.279700      -1.250000      0.3604000    
 O  -0.2832000       3.122300      7.0500001E-02
 O    2.888400      0.4378000       1.092900    
 O   -5.268700      -1.004300      0.8137000    
 N   0.9075000      0.8181000      -1.019900    
 N   -3.192800      -1.596800     -0.1340000    
 C    1.563200     -0.3419000      -1.589700    
 C    2.087600      -1.249100     -0.4718000    
 C  -0.3867000      0.8019000     -0.5337000    
 C    2.702000      0.1330000      -2.485900    
 C  -0.9854000       1.955700      1.2700000E-02
 C   -1.149900     -0.3826000     -0.5724000    
 C    3.100900     -0.5615000      0.4200000    
 C   -2.456600     -0.4126000     -8.5199997E-02
 C   -2.292100       1.925600      0.4998000    
 C   -3.027700      0.7414000      0.4509000    
 C    5.339400     -0.7291000       1.169200    
 C   -4.505800      -1.817800      0.3027000    
 C  -0.9475000       4.250700      0.6347000    
 C    6.566900      -1.597200      0.9927000    
 C   -4.939200      -3.243800      7.2200000E-02
 H   0.8841000     -0.9055000      -2.239900    
 H    2.542700      -2.141900     -0.9191000    
 H    1.287600      -1.613600      0.1815000    
 H    1.441500       1.672400     -0.9013000    
 H    2.311100      0.7330000      -3.315700    
 H    3.421200      0.7608000      -1.948300    
 H    3.243900     -0.7169000      -2.914100    
 H  -0.7490000      -1.305700     -0.9811000    
 H   -2.800700       2.781500      0.9299000    
 H   -4.032200      0.7947000      0.8470000    
 H   -2.707100      -2.394600     -0.5387000    
 H    5.031600     -0.7323000       2.220800    
 H    5.564200      0.2975000      0.8590000    
 H  -0.2435000       5.088700      0.6002000    
 H   -1.819400       4.545500      4.0700000E-02
 H   -1.194900       4.088700       1.689400    
 H    7.398600      -1.226400       1.598300    
 H    6.352300      -2.631400       1.281800    
 H    6.876000      -1.618500     -5.7500001E-02
 H   -4.921100      -3.466700     -0.9983000    
 H   -5.955800      -3.387800      0.4484000    
 H   -4.266500      -3.926100      0.5994000    


%chk=000172818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172818

0 1
O 4.164809 -1.218864 0.497491
O -0.098768 3.029351 0.049982
O 3.605878 0.929546 -0.199823
O -5.096285 -1.299269 1.184963
N 0.775291 0.940634 -1.327363
N -3.178069 -1.711929 -0.109859
C 1.513356 -0.139812 -1.987520
C 2.282466 -1.034333 -0.968110
C -0.440059 0.781413 -0.665226
C 2.432354 0.440260 -3.084019
C -0.950765 1.902543 0.075945
C -1.217274 -0.402760 -0.684949
C 3.387495 -0.305484 -0.217615
C -2.470639 -0.472280 -0.012398
C -2.181860 1.823675 0.743114
C -2.960670 0.639835 0.707493
C 5.269538 -0.640632 1.327784
C -4.399752 -2.068854 0.456442
C -0.517201 4.203231 0.812034
C 5.956949 -1.812167 2.021020
C -4.861168 -3.490432 0.128244
H 0.776321 -0.799227 -2.488219
H 2.722128 -1.919211 -1.465759
H 1.570762 -1.423596 -0.213118
H 1.298154 1.790673 -1.102769
H 1.828542 0.969495 -3.840941
H 3.158056 1.151574 -2.654077
H 2.995079 -0.366878 -3.587496
H -0.856238 -1.280973 -1.233943
H -2.561957 2.683148 1.303863
H -3.918116 0.573788 1.224070
H -2.721467 -2.428042 -0.678063
H 4.825577 0.075716 2.042484
H 5.949418 -0.082422 0.659071
H 0.287428 4.941235 0.677231
H -1.470257 4.613270 0.424204
H -0.629192 3.962562 1.887366
H 6.784891 -1.440113 2.651755
H 5.248252 -2.359263 2.665807
H 6.373145 -2.518903 1.282922
H -5.824893 -3.439446 -0.407809
H -5.041150 -4.033988 1.071642
H -4.145510 -4.067872 -0.483651


