%chk=000208804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208804

0 1
O 6.580503 -0.617026 0.638668
O -2.230138 2.807127 0.252569
O 0.612400 2.254842 -0.352574
N 3.758496 -0.744608 0.228129
N 0.127022 0.020237 -0.427411
N -0.713705 -1.038858 -0.312421
C 2.318012 -0.583349 0.601917
C 4.449457 -1.725863 1.127364
C 4.474258 0.573756 0.264757
C 5.899880 -1.888217 0.642755
C 5.921687 0.354331 -0.200860
C 1.552314 -0.334409 -0.715545
C -0.236479 1.380779 -0.245206
C -1.681001 1.582069 0.055804
C -1.994696 -0.814623 -0.032450
C -2.526488 0.513977 0.159557
C -2.887399 -1.992741 0.079635
C -1.376400 4.002510 0.108998
C -2.368642 5.131532 0.371239
C -3.740236 -2.113978 1.188770
C -2.883968 -2.980955 -0.916573
C -1.676975 6.485889 0.275390
C -4.590054 -3.217442 1.292041
C -3.739135 -4.080997 -0.805478
C -4.592607 -4.199896 0.295578
H 1.928924 -1.507497 1.082650
H 2.134905 0.243702 1.321277
H 4.442012 -1.416709 2.194522
H 3.919728 -2.699976 1.057712
H 3.954429 1.277213 -0.421375
H 4.470127 1.040761 1.273489
H 5.944874 -2.322767 -0.371591
H 6.510232 -2.482454 1.344609
H 6.547210 1.252788 -0.059945
H 5.968316 0.012398 -1.249734
H 1.591447 -1.240001 -1.362872
H 2.007032 0.508807 -1.288634
H -3.586801 0.650319 0.370119
H -0.953378 4.010479 -0.909075
H -0.565011 3.941404 0.853328
H -2.832311 4.999042 1.370401
H -3.207850 5.069024 -0.351827
H -3.734077 -1.354361 1.969335
H -2.211205 -2.891119 -1.769905
H -0.866667 6.583628 1.008266
H -2.385648 7.301956 0.463121
H -1.243587 6.653743 -0.718273
H -5.251227 -3.313395 2.151989
H -3.737625 -4.847509 -1.579160
H -5.257855 -5.057664 0.379118


%chk=000208804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208804

0 1
O 6.651997 -0.769165 0.514898
O -2.181601 2.867774 0.459165
O 0.699550 2.343510 -0.156761
N 3.765216 -0.804404 0.204812
N 0.124440 0.080021 -0.400858
N -0.701886 -1.020538 -0.318087
C 2.338971 -0.605206 0.538811
C 4.455278 -1.777294 1.090637
C 4.531406 0.469158 0.144778
C 5.882646 -2.023366 0.573364
C 5.958786 0.196679 -0.355597
C 1.532398 -0.240870 -0.731539
C -0.200948 1.437118 -0.118819
C -1.628915 1.632594 0.193388
C -1.992733 -0.792307 0.018835
C -2.479415 0.534006 0.266322
C -2.869453 -1.994684 0.101260
C -1.450845 4.152702 0.205967
C -2.451541 5.266026 0.517416
C -4.141284 -1.943423 0.733503
C -2.435342 -3.231364 -0.451707
C -1.810783 6.657781 0.315112
C -4.957329 -3.093094 0.804755
C -3.250187 -4.378257 -0.378219
C -4.517994 -4.315764 0.248692
H 1.930589 -1.546317 0.951209
H 2.192144 0.191276 1.306972
H 4.509357 -1.410867 2.146625
H 3.893838 -2.730574 1.086020
H 4.027851 1.174842 -0.540799
H 4.581260 0.954051 1.151820
H 5.833500 -2.479890 -0.438924
H 6.445935 -2.683607 1.253497
H 6.572993 1.111821 -0.326355
H 5.920464 -0.196648 -1.394409
H 1.528398 -1.091999 -1.428554
H 1.966406 0.646211 -1.217698
H -3.532235 0.715379 0.493844
H -1.119944 4.176424 -0.847786
H -0.558817 4.194402 0.851949
H -2.800703 5.155288 1.561172
H -3.338035 5.154226 -0.134524
H -4.497351 -1.014729 1.191903
H -1.454853 -3.271028 -0.934912
H -0.936463 6.797550 0.977664
H -2.536763 7.458448 0.541123
H -1.469351 6.796778 -0.727696
H -5.933261 -3.034613 1.299316
H -2.900399 -5.321227 -0.813046
H -5.152894 -5.206932 0.303660


