%chk=000208762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208762

0 1
O 4.436922 0.538316 3.293100
O -6.778797 3.621972 -0.874805
O -7.694487 1.698623 -0.500461
N 6.230251 -0.315288 0.282987
N -0.368816 0.818541 -0.946873
N -3.871980 -1.496776 -0.225038
N -6.727500 2.418278 -0.684578
C 5.465588 -0.614806 1.531620
C 4.634667 0.646248 1.864405
C 3.304791 0.676496 1.146317
C 7.706465 -0.509159 0.465306
C 5.700559 -1.103177 -0.879966
C -1.510041 0.030896 -0.693914
C 0.861067 0.732930 -0.212405
C -2.792008 0.660464 -0.698168
C 2.160029 0.119388 1.730939
C 3.222502 1.253106 -0.129761
C -1.430398 -1.378313 -0.518950
C 0.934671 0.151494 1.065432
C 2.008906 1.286047 -0.814655
C -3.943537 -0.162778 -0.466169
C 8.272722 0.588629 1.366379
C 6.162050 -0.476246 -2.196360
C -2.647716 -2.097337 -0.251948
C -2.992595 2.071895 -0.900647
C -0.217459 -2.144663 -0.643825
C -5.265198 0.437386 -0.466644
C -2.601029 -3.523558 -0.014925
C -5.383802 1.780472 -0.677169
C -4.239001 2.622705 -0.893855
C -0.209714 -3.493942 -0.439793
C -1.417619 -4.192227 -0.100635
H 4.804210 -1.500831 1.450518
H 6.130893 -0.822623 2.401497
H 5.222150 1.574204 1.670140
H 8.188061 -0.442976 -0.536951
H 7.961020 -1.510948 0.873954
H 4.587407 -1.074183 -0.835402
H 5.995333 -2.174166 -0.843583
H 2.234002 -0.340813 2.720548
H 4.121660 1.666071 -0.594982
H -0.534610 1.724129 -1.398158
H 0.048764 -0.274154 1.535850
H 1.957094 1.725708 -1.808522
H 9.364730 0.529278 1.417882
H 7.885704 0.523322 2.390338
H 8.006623 1.584139 0.987703
H 5.959226 0.602762 -2.211633
H 7.239800 -0.599344 -2.354978
H 5.644550 -0.928928 -3.048481
H 3.958715 1.318702 3.631875
H -2.120334 2.708968 -1.058720
H 0.701246 -1.627585 -0.928298
H -6.133876 -0.214726 -0.297198
H -3.541964 -4.024786 0.222544
H -4.405277 3.693417 -1.046716
H 0.708803 -4.071048 -0.537157
H -1.362726 -5.267302 0.074990


%chk=000208762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208762

0 1
O 4.560211 0.886009 3.578071
O -6.760899 3.640831 -0.660674
O -7.679987 1.553416 -0.708321
N 6.072492 -0.501063 0.455412
N -0.258271 0.920437 -0.787395
N -3.773747 -1.567165 -0.612764
N -6.666438 2.351107 -0.676689
C 5.610336 -0.404401 1.858114
C 4.763625 0.870904 2.113052
C 3.440354 0.884824 1.362533
C 7.548548 -0.506618 0.305025
C 5.372347 -1.538972 -0.345693
C -1.381500 0.078564 -0.691586
C 0.969698 0.857852 -0.068618
C -2.686959 0.677771 -0.659357
C 2.320501 0.163446 1.853412
C 3.299199 1.599741 0.148198
C -1.283480 -1.355659 -0.704035
C 1.095990 0.152059 1.158744
C 2.084785 1.582542 -0.567160
C -3.851218 -0.200344 -0.653146
C 8.189131 0.851332 0.650864
C 5.364213 -1.241576 -1.857937
C -2.522202 -2.128029 -0.625481
C -2.900351 2.100074 -0.605732
C -0.045562 -2.069731 -0.859002
C -5.164562 0.379332 -0.667813
C -2.450441 -3.565986 -0.607658
C -5.303864 1.762203 -0.659189
C -4.178026 2.646572 -0.610737
C -0.018182 -3.462708 -0.864504
C -1.228638 -4.221005 -0.715872
H 5.007357 -1.287209 2.155641
H 6.471212 -0.360637 2.552837
H 5.370893 1.745678 1.798893
H 7.781016 -0.747206 -0.748009
H 8.020394 -1.309897 0.926720
H 4.325142 -1.573544 0.006462
H 5.804696 -2.556897 -0.166876
H 2.413465 -0.379935 2.800438
H 4.153979 2.158229 -0.249605
H -0.394393 1.777347 -1.327571
H 0.237845 -0.389464 1.568643
H 1.999440 2.125676 -1.516542
H 9.285431 0.808488 0.511415
H 7.997447 1.137825 1.701298
H 7.780277 1.643119 -0.001738
H 4.887193 -0.264194 -2.048003
H 6.383154 -1.215391 -2.284501
H 4.798732 -2.023496 -2.399018
H 3.960197 1.640622 3.807071
H -2.044102 2.777836 -0.519843
H 0.886422 -1.513076 -0.982076
H -6.033453 -0.282611 -0.681732
H -3.397778 -4.106804 -0.524461
H -4.350826 3.723979 -0.562787
H 0.935212 -3.986929 -0.990944
H -1.185358 -5.315366 -0.707772


