%chk=000244780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244780

0 1
O 2.193148 2.097753 1.020540
O 3.633668 0.941253 -0.279707
N -0.878632 -1.582706 -0.141007
N -2.596917 1.564377 0.200908
C 1.565823 -1.262742 -0.230520
C 1.362109 0.122490 0.082363
C 0.401817 -2.083902 -0.326115
C -1.029515 -0.285724 0.137175
C 0.088826 0.611172 0.260687
C 2.843739 -1.862233 -0.451553
C 0.533756 -3.480800 -0.627169
C -2.421418 0.214453 0.323320
C 2.530627 1.041861 0.208023
C 2.943927 -3.200195 -0.738804
C 1.778414 -4.018895 -0.825370
C -3.488771 -0.658367 0.607854
C 3.192779 3.148991 1.228474
C -4.770021 -0.122145 0.768569
C -3.845562 2.064499 0.358595
C -4.960380 1.255345 0.644309
C 3.236752 4.058779 0.019789
H -0.093636 1.668270 0.495420
H 3.738009 -1.229888 -0.401213
H -0.374807 -4.081650 -0.692485
H 3.917956 -3.659284 -0.909282
H 1.898709 -5.077673 -1.054831
H -3.311913 -1.732756 0.690309
H 2.785416 3.638547 2.132305
H 4.165962 2.671702 1.440671
H -5.612673 -0.778340 0.988243
H -3.943536 3.151336 0.249575
H -5.946161 1.697829 0.763757
H 3.853953 4.945472 0.206625
H 3.659857 3.540796 -0.854385
H 2.233292 4.403176 -0.263568


%chk=000244780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244780

0 1
O 2.078029 2.299691 0.863623
O 3.737452 0.811910 0.205226
N -0.894957 -1.615949 -0.124827
N -2.576706 1.515616 0.736877
C 1.583642 -1.286241 -0.145548
C 1.375050 0.102213 0.219782
C 0.388418 -2.103475 -0.302494
C -1.046146 -0.314859 0.214218
C 0.066469 0.568243 0.394191
C 2.859990 -1.904972 -0.354399
C 0.513271 -3.486130 -0.657330
C -2.437753 0.190923 0.401342
C 2.520014 1.055378 0.409491
C 2.946732 -3.257767 -0.698691
C 1.770949 -4.057007 -0.852550
C -3.553614 -0.671234 0.235945
C 3.124516 3.349522 1.056980
C -4.850548 -0.151991 0.421738
C -3.836545 2.000453 0.912567
C -5.001973 1.212019 0.767475
C 3.389254 4.096687 -0.253232
H -0.135315 1.604057 0.668436
H 3.761106 -1.298687 -0.244177
H -0.411197 -4.061368 -0.764662
H 3.931678 -3.711997 -0.854141
H 1.862020 -5.114521 -1.123346
H -3.370892 -1.715028 -0.031544
H 2.688786 4.004919 1.827746
H 4.041407 2.866046 1.437050
H -5.727811 -0.796258 0.300176
H -3.906911 3.061210 1.179948
H -5.990648 1.655619 0.921354
H 4.095689 4.927685 -0.070192
H 3.835893 3.425240 -1.005437
H 2.455249 4.520855 -0.660092


