%chk=000196507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196507

0 1
O 2.087991 0.565770 1.182752
O 4.701989 1.156726 -0.660000
O 0.605238 2.734834 0.819833
O 1.294763 -2.943631 -0.963824
O -2.661427 0.262925 0.912488
O -3.153467 -1.866888 -1.014274
N 0.668532 -1.028302 0.179071
N -0.946539 -2.420412 -0.961646
N -2.040704 3.005894 -0.957560
C 3.333148 0.793924 -0.864846
C 2.101002 -0.730621 0.604290
C 3.085513 -0.697049 -0.571142
C 2.563715 1.567155 0.236355
C 1.375100 2.352341 -0.331666
C -0.368543 -0.202617 0.627187
C 0.403184 -2.196472 -0.606164
C -1.662316 -0.481169 0.297401
C -2.059443 -1.593790 -0.572677
C -3.477010 1.038483 -0.003255
C -2.693840 2.146121 -0.547515
H 3.044348 1.078071 -1.897448
H 2.362170 -1.429387 1.433600
H 2.729368 -1.257727 -1.457097
H 4.031963 -1.198991 -0.280450
H 3.228353 2.203397 0.867936
H 0.730130 1.742440 -0.991764
H 1.716201 3.251765 -0.876884
H 5.283096 0.720439 -1.316279
H -0.090333 0.676321 1.257210
H -1.141247 -3.254431 -1.537371
H -0.029341 3.446452 0.567534
H -4.292227 1.386377 0.670896
H -3.894868 0.380351 -0.799489


%chk=000196507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196507

0 1
O 2.104667 0.598486 1.145171
O 4.875027 0.801575 0.030168
O 0.602233 2.969330 0.444311
O 1.325325 -2.967622 -0.960073
O -2.755274 0.182541 1.049262
O -3.273139 -2.042224 -0.757412
N 0.621697 -1.014191 0.143429
N -0.967308 -2.474923 -0.821836
N -2.018287 2.922902 -0.742113
C 3.598866 0.915524 -0.685519
C 2.076594 -0.651713 0.422814
C 2.896739 -0.454243 -0.883967
C 2.639997 1.671089 0.250851
C 1.534238 2.409057 -0.522168
C -0.414110 -0.238292 0.647947
C 0.391550 -2.212052 -0.569364
C -1.732736 -0.567474 0.425339
C -2.099964 -1.717637 -0.405588
C -3.602208 0.959672 0.109219
C -2.802899 2.085092 -0.421199
H 3.740636 1.440660 -1.652814
H 2.482335 -1.444180 1.072757
H 2.227126 -0.424238 -1.760354
H 3.605470 -1.282228 -1.037114
H 3.173539 2.363128 0.920033
H 1.021642 1.716992 -1.227095
H 2.020577 3.209420 -1.123229
H 5.491091 0.224228 -0.487719
H -0.111999 0.645803 1.219521
H -1.159372 -3.321553 -1.367952
H -0.231648 3.263578 -0.020567
H -4.445449 1.332167 0.711966
H -3.980457 0.309625 -0.701502


