%chk=000195851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195851

0 1
O -3.049856 2.291385 1.156238
O -2.613800 -3.262145 -1.183607
O -4.071565 3.567145 -0.912177
O 0.096618 -3.071159 -0.445159
N -0.462478 1.469847 0.768754
C -2.521562 0.235771 -0.051099
C -1.156073 0.349443 0.285071
C -0.237086 -0.747423 0.164109
C -3.420079 1.434156 0.033648
C 1.061036 -0.271128 0.591527
C -2.981784 -1.017346 -0.483978
C 0.893291 1.104381 0.972940
C -3.226169 2.425480 -1.150030
C -0.714374 -1.977533 -0.306321
C -2.081645 -2.109060 -0.619234
C 2.318897 -0.869265 0.683109
C 1.968481 1.866312 1.442876
C 3.394728 -0.108720 1.152671
C -4.414579 -1.243033 -0.833667
C 3.210044 1.243072 1.526931
C -3.688454 1.857051 -2.479682
C 4.761368 -0.733366 1.279276
C -3.442197 1.781577 2.445659
C 5.827332 0.071209 0.594174
C -2.391666 -4.473203 -0.413447
C 5.992600 0.138151 -0.736964
C 7.089308 0.959302 -1.343817
C 5.115375 -0.586713 -1.708750
H -4.490730 1.157025 0.148267
H -0.901892 2.342515 1.031166
H -2.173411 2.784029 -1.190354
H 2.448051 -1.909508 0.390687
H 1.840260 2.906188 1.728021
H -4.674792 -0.751291 -1.782891
H -4.630625 -2.318054 -0.973625
H -5.096805 -0.866738 -0.060843
H 4.070893 1.809991 1.882393
H -4.761667 1.627884 -2.467727
H -3.541001 2.593785 -3.282035
H -3.135700 0.947956 -2.745213
H 5.005619 -0.843762 2.358732
H 4.760684 -1.769862 0.878642
H -3.947394 3.887341 0.011884
H 1.040128 -2.847305 -0.190880
H -2.977678 0.806220 2.625831
H -4.532432 1.717704 2.509484
H -3.053651 2.537082 3.138004
H 6.483518 0.617619 1.267859
H -2.801765 -4.365776 0.592191
H -1.320502 -4.706913 -0.387462
H -2.943783 -5.216535 -0.998115
H 7.741130 1.424426 -0.593918
H 7.728933 0.347548 -1.994493
H 6.675780 1.770067 -1.960140
H 4.051360 -0.383627 -1.508547
H 5.305182 -0.303187 -2.750534
H 5.257378 -1.673308 -1.634935


%chk=000195851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195851

0 1
O -3.465007 1.828726 1.823319
O -2.069475 -2.706203 -2.069825
O -4.763134 3.524526 0.194772
O 0.613885 -2.016127 -1.551481
N -0.739779 1.737441 1.061594
C -2.596804 0.366074 0.000900
C -1.245926 0.674291 0.296219
C -0.142814 -0.112646 -0.164841
C -3.696171 1.319533 0.432570
C 1.077870 0.509686 0.342954
C -2.848952 -0.817759 -0.750279
C 0.658242 1.658062 1.106840
C -3.773949 2.623562 -0.413124
C -0.410312 -1.238552 -0.978264
C -1.756440 -1.608971 -1.234170
C 2.459988 0.211632 0.255038
C 1.590307 2.495598 1.751363
C 3.409647 1.041167 0.895438
C -4.263509 -1.259292 -1.089779
C 2.959215 2.176380 1.631065
C -4.218053 2.381526 -1.856575
C 4.904563 0.706428 0.844429
C -3.690280 0.807829 2.853080
C 5.368529 0.132534 -0.481171
C -1.528791 -4.021666 -1.666837
C 5.982800 -1.065225 -0.710043
C 6.408471 -1.463149 -2.115546
C 6.313578 -2.090906 0.361081
H -4.692782 0.834912 0.406913
H -1.353598 2.347452 1.603998
H -2.770064 3.102645 -0.402369
H 2.839937 -0.661241 -0.293184
H 1.268214 3.373022 2.322177
H -4.740798 -0.577546 -1.818048
H -4.242353 -2.261519 -1.542223
H -4.910553 -1.287476 -0.193107
H 3.702458 2.819453 2.118352
H -5.225202 1.928257 -1.876659
H -4.269943 3.345914 -2.389392
H -3.509115 1.721889 -2.385729
H 5.474763 1.634429 1.055170
H 5.149640 0.010739 1.670735
H -4.587053 3.504153 1.174020
H 1.483386 -1.553930 -1.461362
H -3.007483 -0.052744 2.714777
H -4.739768 0.451463 2.827649
H -3.487614 1.293345 3.820816
H 5.181797 0.784463 -1.348767
H -1.866146 -4.284897 -0.644782
H -0.427436 -4.023159 -1.712499
H -1.944929 -4.736037 -2.394218
H 6.158004 -0.685039 -2.857182
H 7.501305 -1.642204 -2.162725
H 5.921442 -2.408579 -2.427935
H 5.916068 -1.828253 1.354907
H 5.909999 -3.085105 0.084614
H 7.410925 -2.213206 0.457825


