%chk=000201048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201048

0 1
O 3.834987 0.876356 -2.307412
O -3.680017 -3.377105 1.481551
N 0.830772 0.332421 -1.405600
C -1.501561 0.484721 -0.523435
C -0.416115 -0.465147 -1.157906
C -1.738233 1.681139 -1.475954
C -0.989691 0.985868 0.855101
C -0.433667 2.412542 -1.809120
C 0.619758 1.453178 -2.378653
C -2.775874 -0.330085 -0.284877
C -0.953126 -1.193028 -2.398813
C -2.017293 1.830388 1.619242
C 1.971212 -0.535403 -1.830315
C -2.694715 -1.499635 0.485514
C -4.027899 0.059999 -0.793431
C -1.443227 2.356311 2.932984
C 3.265532 0.206262 -1.473311
C -3.857847 -2.244705 0.719960
C -5.173442 -0.700791 -0.544030
C -5.111315 -1.870150 0.216286
C 3.811130 0.017671 -0.096792
C 2.966969 -0.039631 1.019846
C 5.202119 -0.075469 0.068528
C 3.512743 -0.206061 2.296043
C 5.742453 -0.251754 1.344257
C 4.897483 -0.317993 2.457802
H -0.143373 -1.238083 -0.389212
H -2.450625 2.392867 -1.014208
H -2.211165 1.324179 -2.411566
H -0.062133 1.575827 0.697037
H -0.686228 0.123055 1.477353
H -0.626532 3.224791 -2.534246
H -0.033938 2.901526 -0.896330
H 0.316242 1.097994 -3.386458
H 1.589894 1.986372 -2.509047
H -1.822979 -1.814650 -2.150845
H -1.271812 -0.494214 -3.180194
H -0.201971 -1.856911 -2.836917
H -2.925748 1.228259 1.822793
H -2.351985 2.679435 0.990577
H 1.931756 -1.510324 -1.299066
H 1.979020 -0.767328 -2.918751
H -1.754865 -1.841390 0.913589
H -4.126300 0.964880 -1.387861
H -1.144313 1.538640 3.598570
H -0.559931 2.983348 2.766532
H -2.180084 2.963063 3.470969
H -6.132824 -0.376782 -0.949206
H -5.999005 -2.459636 0.408721
H -4.526745 -3.863987 1.627070
H 1.885469 0.062405 0.893050
H 5.854553 -0.001503 -0.803856
H 2.857868 -0.246474 3.164606
H 6.820579 -0.330438 1.472121
H 5.319840 -0.452619 3.452911


%chk=000201048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201048

0 1
O 4.093533 -0.092726 -2.578540
O -4.134285 -3.392220 1.314371
N 0.831746 0.051872 -1.432146
C -1.481137 0.374358 -0.500936
C -0.491087 -0.622128 -1.234285
C -1.579129 1.674000 -1.355371
C -0.891493 0.687102 0.921228
C -0.195147 2.303188 -1.626256
C 0.767587 1.281367 -2.260189
C -2.857671 -0.308194 -0.318829
C -1.079986 -1.240323 -2.534303
C -1.654445 1.743501 1.750873
C 1.914014 -0.867531 -1.842566
C -2.934254 -1.532106 0.394623
C -4.066218 0.244981 -0.820282
C -1.104164 1.845277 3.190757
C 3.318882 -0.279365 -1.592373
C -4.169334 -2.180214 0.595903
C -5.302638 -0.407258 -0.613302
C -5.371218 -1.625462 0.094179
C 3.764538 0.032853 -0.193913
C 2.951069 -0.222689 0.943244
C 5.065951 0.576887 -0.008478
C 3.435029 0.054838 2.239365
C 5.545849 0.857661 1.285400
C 4.730973 0.595350 2.414130
H -0.296531 -1.460022 -0.531432
H -2.233396 2.410905 -0.854115
H -2.057741 1.441617 -2.327533
H 0.162768 0.997042 0.802000
H -0.870392 -0.258390 1.502158
H -0.305216 3.169878 -2.306131
H 0.246822 2.680656 -0.685508
H 0.448565 1.058355 -3.309312
H 1.783993 1.710249 -2.325390
H -1.977335 -1.839731 -2.306339
H -1.367123 -0.473688 -3.275094
H -0.341664 -1.910354 -3.011297
H -2.732339 1.489890 1.783587
H -1.576564 2.736468 1.265195
H 1.811292 -1.805291 -1.260286
H 1.885799 -1.135150 -2.924223
H -2.040249 -2.009053 0.809315
H -4.055219 1.187154 -1.373633
H -1.223628 0.884776 3.727135
H -0.026187 2.097293 3.186904
H -1.631505 2.624299 3.771602
H -6.223425 0.037715 -1.006988
H -6.333705 -2.129273 0.252138
H -5.043478 -3.770841 1.407041
H 1.938866 -0.611545 0.807084
H 5.678110 0.763054 -0.897415
H 2.803386 -0.144526 3.112157
H 6.549514 1.275844 1.419751
H 5.103416 0.811851 3.421926


