%chk=000191356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191356

0 1
O 1.564921 -0.312659 0.941146
O -2.019370 1.406026 -1.255111
O 2.080358 -2.273426 -0.851270
O 0.773571 -1.481205 -2.492285
N -0.601139 1.136245 0.516060
N -4.252843 0.436261 0.098436
C 1.835625 0.648797 -0.069329
C 0.573100 1.587731 -0.225547
C 2.645600 1.843134 0.499984
C 1.387665 2.735572 0.436779
C 2.373839 0.000462 -1.346061
C -1.819930 0.937120 -0.146405
C -2.898448 0.169736 0.644447
C 1.628465 -1.255533 -1.678036
C -2.622401 -1.363941 0.618684
C -1.537968 -1.742959 1.631826
C -2.259512 -1.861600 -0.781514
H 0.301356 1.798407 -1.288195
H 3.485154 2.182384 -0.113359
H 3.021316 1.662945 1.516247
H 1.008075 3.052476 1.416683
H 1.481230 3.632240 -0.185243
H 2.302688 0.710920 -2.201578
H 3.459674 -0.219910 -1.232264
H -0.400425 0.646906 1.393736
H 2.154877 -1.102136 0.876500
H -2.901657 0.520914 1.711478
H -3.580961 -1.859668 0.932319
H -1.433516 -2.832809 1.694872
H -0.547983 -1.349583 1.358057
H -1.776955 -1.387546 2.639534
H -3.008293 -1.564748 -1.526319
H -2.195593 -2.954524 -0.809118
H -1.295553 -1.472786 -1.136873
H -4.319966 0.105286 -0.864262
H -4.429760 1.439063 0.066291
H 1.603558 -3.133191 -0.998410


%chk=000191356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191356

0 1
O 2.186361 0.465836 1.500016
O -1.878902 0.989494 -1.360814
O 2.031075 -2.008905 0.344514
O 1.732778 -1.975403 -1.961267
N -0.365606 0.858172 0.404545
N -3.958113 0.676745 0.698601
C 2.181693 0.933962 0.109218
C 0.747178 1.477788 -0.290846
C 2.703611 2.405637 0.093238
C 1.221230 2.914040 0.136959
C 2.876928 -0.077518 -0.837516
C -1.608426 0.638088 -0.167826
C -2.665159 -0.040013 0.744110
C 2.168396 -1.413647 -0.941256
C -2.873054 -1.548022 0.378285
C -1.550202 -2.347119 0.464885
C -3.545365 -1.752894 -0.998977
H 0.547012 1.420264 -1.374208
H 3.222450 2.662186 -0.846226
H 3.342808 2.657183 0.952681
H 0.901847 3.155676 1.164305
H 0.944871 3.738451 -0.538024
H 2.944352 0.339620 -1.854497
H 3.903435 -0.249391 -0.458869
H -0.189415 0.599277 1.380127
H 2.119197 -0.530762 1.491323
H -2.303381 -0.010937 1.792422
H -3.567139 -1.924849 1.156640
H -1.756451 -3.429522 0.372784
H -0.867592 -2.062908 -0.358307
H -1.032907 -2.179066 1.430570
H -4.550377 -1.296154 -1.023967
H -3.667199 -2.833202 -1.202019
H -2.940913 -1.310641 -1.809934
H -4.257709 0.825854 -0.274417
H -3.931873 1.572995 1.200527
H 1.513357 -2.855912 0.275120


