%chk=000186170.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186170

0 1
O 5.987177 1.060791 0.015641
O -2.985684 1.971584 0.024231
O -0.452695 1.685032 0.023387
O 3.688133 -3.136028 0.222475
O 1.562092 -2.791178 0.216068
O -6.616395 0.302778 0.115810
O -5.420312 2.102774 0.033486
N 0.569024 -0.378878 0.110825
N 2.729957 -2.390609 0.192318
N -5.547109 0.897078 0.085952
C 1.929683 0.031119 0.084998
C -1.882613 -0.195532 0.115932
C 2.966669 -0.938859 0.124145
C -0.558331 0.454368 0.079451
C 2.290540 1.399446 0.020243
C -3.036878 0.645541 0.084198
C 4.315779 -0.539252 0.098583
C 4.632887 0.820212 0.034280
C -4.336642 0.063415 0.117199
C -2.067531 -1.586428 0.179703
C 3.616777 1.797020 -0.005147
C -4.472275 -1.330688 0.180720
C -3.341783 -2.149455 0.211780
C 6.425948 2.440448 -0.048725
H 0.408934 -1.415819 0.158659
H 1.499248 2.165835 -0.010661
H 5.118667 -1.287700 0.128831
H -1.193254 -2.251686 0.205195
H 3.861194 2.858421 -0.055243
H -5.482564 -1.765792 0.205538
H -3.458553 -3.232975 0.261273
H -2.005464 2.357228 0.001568
H 6.095986 2.989279 0.837744
H 6.086475 2.907560 -0.977426
H 7.519116 2.319851 -0.049028


%chk=000186170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186170

0 1
O 6.066620 1.025087 0.021028
O -2.963397 2.031436 0.011491
O -0.493913 1.794814 0.015292
O 3.626071 -3.192174 0.209749
O 1.399773 -2.755862 0.201883
O -6.738339 0.111386 0.121304
O -5.614137 2.088265 0.020816
N 0.552566 -0.296172 0.102380
N 2.653619 -2.355507 0.178556
N -5.640150 0.805278 0.083578
C 1.907001 0.090103 0.079189
C -1.902352 -0.170065 0.116128
C 2.944097 -0.913058 0.116247
C -0.574927 0.500658 0.075216
C 2.328536 1.446987 0.020900
C -3.081186 0.680297 0.079128
C 4.311387 -0.564944 0.095682
C 4.693648 0.788077 0.037639
C -4.366122 0.042729 0.116839
C -2.053921 -1.578527 0.189800
C 3.689052 1.794239 0.000493
C -4.477177 -1.361117 0.189572
C -3.327444 -2.173323 0.226582
C 6.521878 2.420641 -0.043801
H 0.453533 -1.328901 0.145293
H 1.558984 2.219072 -0.007910
H 5.069752 -1.350029 0.124954
H -1.181605 -2.240468 0.220984
H 3.956423 2.853882 -0.044826
H -5.483216 -1.787942 0.216137
H -3.424345 -3.260591 0.283656
H -1.938207 2.250133 -0.001365
H 6.182512 2.993327 0.840163
H 6.172147 2.912165 -0.971500
H 7.619045 2.359002 -0.047273


