%chk=000208854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208854

0 1
O 2.496190 -0.085183 1.385955
O -1.334295 2.112619 -0.623623
O -4.263290 -0.390653 -1.159481
N 4.616320 1.238924 0.175742
N 0.899510 0.875832 0.036142
N -2.760214 0.961350 0.738682
N -5.537470 1.397668 -1.723989
C 3.278902 1.232706 -0.497421
C 3.395280 0.439878 -1.824226
C -0.307676 0.370561 0.750062
C 4.804805 -0.173873 -1.827462
C 5.598024 0.629502 -0.778556
C 2.209898 0.602622 0.416831
C -0.213639 0.611094 2.278667
C -0.481668 -1.113155 0.426717
C -1.495873 1.215858 0.191258
C -0.218413 2.083892 2.665435
C -1.389719 -1.557595 -0.544069
C 0.318857 -2.054133 1.094699
C -1.520608 -2.923890 -0.813612
C 0.188494 -3.417036 0.821534
C -3.929297 1.632585 0.144191
C -0.737050 -3.857090 -0.130113
C -4.553021 0.775934 -0.960974
H 3.025302 2.305822 -0.696762
H 3.258189 1.117344 -2.684780
H 2.619837 -0.340003 -1.916074
H 4.766448 -1.244160 -1.557839
H 5.272204 -0.117784 -2.823152
H 6.342815 0.009081 -0.247984
H 6.150466 1.466653 -1.257912
H 4.574100 0.681953 1.045126
H 0.705552 1.497733 -0.760451
H -1.039445 0.076224 2.785166
H 0.726447 0.136780 2.654371
H 0.562606 2.644627 2.134957
H -1.176619 2.571044 2.451245
H -0.023969 2.203828 3.738590
H -2.017887 -0.862688 -1.108669
H 1.070797 -1.714953 1.817817
H -2.952352 0.064169 1.188685
H -2.241650 -3.254725 -1.560811
H 0.813839 -4.135879 1.348602
H -3.613030 2.630442 -0.259056
H -4.681139 1.828333 0.944552
H -0.842813 -4.919584 -0.340178
H -5.955877 0.894460 -2.494234
H -5.729269 2.381964 -1.686100


%chk=000208854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208854

0 1
O 2.547435 -0.286389 1.236924
O -1.383784 2.195776 -0.359247
O -3.854786 -0.137022 -1.795299
N 4.530015 1.198409 -0.000352
N 0.854270 0.916201 0.168740
N -2.769202 0.667523 0.695183
N -5.201750 1.754644 -1.894564
C 3.166909 1.247376 -0.590540
C 3.242167 0.509824 -1.992948
C -0.303319 0.350544 0.901593
C 4.620824 -0.200559 -1.972888
C 5.463138 0.740364 -1.066626
C 2.165181 0.560157 0.363518
C -0.194922 0.676305 2.433793
C -0.448515 -1.167431 0.617741
C -1.527874 1.138740 0.334305
C -0.168389 2.182677 2.758118
C -0.974985 -1.594036 -0.631435
C -0.025886 -2.150242 1.546800
C -1.082342 -2.966785 -0.938964
C -0.135793 -3.524883 1.240643
C -3.974066 1.323294 0.200134
C -0.663254 -3.940002 -0.002832
C -4.316282 0.906865 -1.256522
H 2.841765 2.295839 -0.748619
H 3.204677 1.257734 -2.806371
H 2.402607 -0.191754 -2.139789
H 4.534372 -1.196809 -1.501315
H 5.046694 -0.326669 -2.984538
H 6.344687 0.250597 -0.617283
H 5.820946 1.609638 -1.653358
H 4.509999 0.538286 0.796377
H 0.609387 1.683488 -0.473191
H -1.040448 0.190020 2.957150
H 0.738453 0.212511 2.796422
H 0.659648 2.687982 2.230425
H -1.108694 2.689181 2.474731
H -0.017022 2.330755 3.842412
H -1.327598 -0.858346 -1.363073
H 0.416369 -1.852279 2.500286
H -2.836894 -0.285911 1.057681
H -1.502913 -3.272155 -1.903169
H 0.203432 -4.269712 1.969310
H -3.821879 2.416115 0.245973
H -4.825673 1.058753 0.853150
H -0.746165 -5.006753 -0.239914
H -5.493175 1.527931 -2.845413
H -5.498766 2.639302 -1.485659


