%chk=000202448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202448

0 1
O -0.310249 0.333191 -1.116688
O -1.530928 -1.368310 0.490300
N -4.440311 0.878052 -1.383685
C 0.693382 0.142404 -0.094926
C 0.794510 -1.344396 0.228430
C 1.964899 0.683213 -0.744577
C 0.297830 0.972465 1.126561
C -0.369685 -2.107493 0.502305
C 2.019146 -2.013237 0.260329
C -3.797340 -0.922077 0.175446
C -2.822076 -2.058968 0.455552
C 2.990812 1.241386 0.030711
C -0.347621 2.200842 0.919640
C 2.106240 0.610095 -2.137789
C 0.578098 0.547093 2.430684
C -3.645929 -0.386948 -1.259735
C -0.317660 -3.475708 0.788107
C 2.092648 -3.383369 0.548817
C 0.930174 -4.108308 0.808445
C 4.150745 1.718465 -0.585995
C -0.717315 2.991967 2.009215
C 3.266104 1.091743 -2.750380
C 0.208276 1.342541 3.520099
C 4.290753 1.644291 -1.975606
C -0.439987 2.563424 3.312036
C -3.664676 2.042430 -0.859301
C -4.828569 1.117825 -2.806098
H 2.943473 -1.467344 0.052070
H -4.839527 -1.254485 0.350583
H -3.626147 -0.099226 0.905281
H -2.981658 -2.522082 1.443776
H -2.799637 -2.825826 -0.335692
H 2.885825 1.312525 1.113364
H -0.552110 2.529474 -0.101579
H 1.296330 0.183948 -2.735214
H 1.078185 -0.405951 2.602669
H -1.208424 0.016282 -0.795499
H -4.026017 -1.140206 -1.981167
H -2.558295 -0.247612 -1.493931
H -1.216254 -4.044055 0.999981
H 3.061073 -3.877770 0.564228
H 0.987706 -5.173899 1.030248
H 4.944816 2.152698 0.018341
H -1.217369 3.944248 1.844415
H 3.369916 1.036663 -3.832267
H 0.425273 1.007224 4.532433
H 5.194082 2.018326 -2.452893
H -0.727424 3.180047 4.161076
H -3.373987 1.847791 0.186774
H -2.751970 2.282606 -1.426419
H -4.316223 2.930268 -0.855821
H -3.986591 1.218189 -3.506675
H -5.472846 0.291990 -3.146988
H -5.431874 2.038569 -2.860691


%chk=000202448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202448

0 1
O 0.098776 0.357383 -1.440783
O -1.404368 -1.274259 0.069338
N -5.099230 0.701595 -1.295196
C 0.985926 0.154311 -0.265995
C 0.998007 -1.356183 0.084929
C 2.374547 0.642939 -0.727124
C 0.464625 1.006532 0.918134
C -0.239516 -2.050299 0.255853
C 2.187134 -2.100699 0.239173
C -3.767572 -0.753346 0.268476
C -2.724516 -1.867027 0.373608
C 3.324502 1.153094 0.191052
C -0.107648 2.274115 0.642217
C 2.729123 0.536639 -2.094975
C 0.574885 0.583875 2.264623
C -3.919594 -0.186275 -1.158130
C -0.278177 -3.425035 0.575496
C 2.166352 -3.478889 0.561285
C 0.932517 -4.138536 0.731403
C 4.607941 1.550227 -0.249300
C -0.569031 3.097392 1.691547
C 4.009299 0.937946 -2.536247
C 0.112038 1.407161 3.317741
C 4.956449 1.443360 -1.615026
C -0.462872 2.666703 3.035865
C -4.981588 1.946236 -0.504483
C -5.396900 0.990532 -2.715013
H 3.146753 -1.592261 0.105527
H -4.746600 -1.165964 0.581693
H -3.495776 0.042986 0.984891
H -2.699388 -2.285222 1.399319
H -2.929249 -2.686673 -0.346651
H 3.059583 1.254945 1.248955
H -0.186270 2.596881 -0.400880
H 1.983529 0.157610 -2.798893
H 1.014575 -0.393790 2.493428
H -0.783991 -0.029424 -1.176341
H -4.055300 -1.030217 -1.863359
H -2.975691 0.340588 -1.456502
H -1.232432 -3.945500 0.696121
H 3.107660 -4.026420 0.674856
H 0.902064 -5.205510 0.978496
H 5.330316 1.947642 0.472909
H -1.007789 4.075910 1.463622
H 4.267228 0.857430 -3.598615
H 0.201621 1.064379 4.355175
H 5.949716 1.755499 -1.957692
H -0.821361 3.305449 3.851269
H -4.907689 1.716517 0.571556
H -4.090036 2.562280 -0.788861
H -5.887097 2.560282 -0.655068
H -4.583868 1.560312 -3.233020
H -5.553749 0.044231 -3.263075
H -6.326272 1.583550 -2.785025


