%chk=000214811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214811

0 1
S 4.423657 -1.667509 0.186811
O -3.299952 0.789020 -0.742633
O 6.518302 3.011866 0.152130
N -6.712764 0.801307 0.548801
C -8.057601 0.632180 -0.096842
C -6.843055 2.027138 1.407011
C -8.739318 2.016716 -0.162817
C -7.959560 2.915540 0.814320
C -5.612719 0.926578 -0.456810
C -4.336344 0.397727 0.213371
C 2.134600 -0.466265 -0.064839
C -2.002327 0.426042 -0.479031
C 3.146782 0.589908 -0.027252
C 0.705384 -0.158772 -0.207248
C 2.661789 -1.716340 0.051964
C 4.464652 0.081219 0.105091
C -1.102054 0.845531 -1.482799
C -1.569318 -0.281080 0.649947
C 0.246215 0.548795 -1.336696
C -0.207939 -0.572189 0.773068
C 2.026023 -3.024471 0.059285
C 2.959079 1.978319 -0.085379
C 5.583020 0.895273 0.162867
C 5.353469 2.282804 0.090001
C 4.059806 2.830561 -0.029946
C 1.067481 -3.345291 -0.919499
C 2.366536 -3.976998 1.035812
C 0.463602 -4.603967 -0.920601
C 1.756748 -5.233886 1.026858
C 0.807017 -5.550539 0.050513
C 6.424273 4.455725 0.092128
H -8.632621 -0.058748 0.557361
H -7.988250 0.151210 -1.088492
H -5.886719 2.570703 1.505949
H -7.121264 1.671404 2.422350
H -8.708643 2.426048 -1.185974
H -9.803774 1.948287 0.113152
H -8.613501 3.311655 1.607682
H -7.536493 3.790618 0.294141
H -5.835904 0.315665 -1.358185
H -5.445821 1.961770 -0.826534
H -4.124659 0.879691 1.181543
H -4.338165 -0.699201 0.319067
H -1.479775 1.386342 -2.346906
H -2.261333 -0.607300 1.419004
H 0.958186 0.857162 -2.104000
H 0.147918 -1.128959 1.642075
H 1.950984 2.387501 -0.169133
H 6.594005 0.508502 0.260668
H 3.912038 3.904204 -0.076219
H 0.798238 -2.605701 -1.673679
H 3.100448 -3.736404 1.804482
H -0.276993 -4.848166 -1.680523
H 2.023371 -5.969068 1.784432
H 0.335693 -6.531108 0.046197
H 7.480048 4.750108 0.161799
H 5.992653 4.769563 -0.862477
H 5.854946 4.835679 0.945136


%chk=000214811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214811

0 1
S 4.501584 -1.736389 0.420684
O -3.330015 0.925391 -0.853842
O 6.687769 3.025564 0.212376
N -6.779913 0.754526 0.552892
C -8.129205 0.532281 -0.040817
C -7.004152 1.880125 1.512048
C -8.736691 1.953243 -0.266920
C -8.115716 2.805952 0.886446
C -5.704911 1.023196 -0.439128
C -4.362374 0.545978 0.128794
C 2.188207 -0.451856 -0.070868
C -2.004672 0.553302 -0.589107
C 3.227158 0.576707 -0.040482
C 0.747409 -0.113803 -0.249646
C 2.680288 -1.736261 0.151006
C 4.537781 0.058217 0.212764
C -1.054155 0.930616 -1.570998
C -1.582991 -0.152722 0.566116
C 0.302148 0.601770 -1.397581
C -0.218149 -0.475896 0.723416
C 2.004465 -3.047270 0.132324
C 3.090414 1.981565 -0.187230
C 5.675070 0.875391 0.296674
C 5.506403 2.269663 0.125013
C 4.214890 2.824075 -0.109582
C 0.914098 -3.301557 -0.750413
C 2.452964 -4.108922 0.970050
C 0.290131 -4.565304 -0.778501
C 1.829487 -5.373755 0.936123
C 0.741274 -5.608855 0.064158
C 6.579468 4.476027 0.044572
H -8.744732 -0.026911 0.690871
H -8.058643 -0.075526 -0.958480
H -6.059115 2.417600 1.703554
H -7.356061 1.464090 2.474479
H -8.425068 2.345718 -1.252102
H -9.840451 1.945978 -0.242188
H -8.871488 3.071652 1.646545
H -7.689900 3.748924 0.501784
H -5.917128 0.458472 -1.364575
H -5.615963 2.097030 -0.722918
H -4.150897 1.029686 1.104595
H -4.379938 -0.551696 0.271969
H -1.399979 1.471486 -2.457273
H -2.297010 -0.449563 1.339727
H 1.025942 0.880005 -2.171935
H 0.105672 -1.018410 1.618013
H 2.097465 2.412652 -0.350554
H 6.676063 0.479991 0.488789
H 4.083833 3.903619 -0.226134
H 0.569327 -2.510130 -1.421891
H 3.286863 -3.933217 1.660154
H -0.543623 -4.739360 -1.468052
H 2.190692 -6.173898 1.591901
H 0.256369 -6.590996 0.036741
H 7.608208 4.852786 0.142264
H 6.180019 4.738123 -0.954574
H 5.941577 4.927294 0.829455


