%chk=000212992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212992

0 1
O 0.307504 1.686221 -0.169817
O 2.238913 -0.993693 0.199245
O 2.276885 2.427502 0.750600
O 3.213242 0.287429 -1.439119
N 1.491426 3.254984 -1.287881
N 4.367844 -0.296245 0.505740
C -0.155299 -0.634863 0.367539
C -1.446183 -0.600546 -0.485387
C -0.232450 -1.619507 1.560730
C -2.720073 -0.326149 0.322050
C 0.124592 0.769275 0.956070
C 0.999096 -1.047369 -0.577393
C -3.971611 -0.252764 -0.580653
C -0.636918 -3.038515 1.173865
C -4.353595 -1.636722 -1.121232
C -5.144587 0.357001 0.199335
C 1.468388 2.442944 -0.157452
C 3.269939 -0.247631 -0.348703
H -1.331803 0.186796 -1.261083
H -1.556483 -1.557694 -1.031561
H 0.763789 -1.649705 2.053310
H -0.939769 -1.231164 2.319290
H -2.863882 -1.105856 1.093594
H -2.610893 0.628833 0.873527
H -0.744246 1.181814 1.497322
H 1.023137 0.779767 1.602584
H 1.075330 -0.381395 -1.458415
H 0.928977 -2.100973 -0.896488
H -3.745671 0.415200 -1.449267
H -1.635083 -3.072298 0.721066
H -0.655672 -3.691109 2.055138
H 0.067506 -3.481847 0.459720
H -4.603353 -2.331852 -0.312662
H -5.225654 -1.577784 -1.781291
H -3.535380 -2.081887 -1.696925
H -5.399315 -0.239481 1.081711
H -6.044590 0.417681 -0.422238
H -4.915779 1.371966 0.540966
H 2.393379 3.625230 -1.566506
H 0.867510 3.036498 -2.054065
H 5.067583 0.428886 0.393045
H 4.226947 -0.605675 1.458789


%chk=000212992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212992

0 1
O 0.298987 1.746962 -0.183234
O 2.287389 -1.058055 0.207164
O 2.313692 2.568984 0.750407
O 3.287497 0.135578 -1.576663
N 1.453220 3.365812 -1.281864
N 4.465055 -0.435532 0.371106
C -0.152702 -0.625080 0.418266
C -1.455619 -0.641779 -0.445701
C -0.248309 -1.545146 1.678113
C -2.770537 -0.347192 0.311737
C 0.152956 0.797509 0.947331
C 0.993095 -1.078755 -0.517854
C -4.013244 -0.219645 -0.612275
C -0.599544 -3.023993 1.404395
C -4.327934 -1.537614 -1.361238
C -5.243472 0.241403 0.205463
C 1.450068 2.567206 -0.162210
C 3.353871 -0.391453 -0.438059
H -1.336098 0.108381 -1.253162
H -1.534090 -1.629157 -0.942187
H 0.724598 -1.501747 2.204878
H -1.001242 -1.119260 2.371148
H -2.969919 -1.141739 1.060383
H -2.667365 0.600408 0.877956
H -0.675398 1.172917 1.573769
H 1.087450 0.809268 1.535412
H 1.074030 -0.415704 -1.397085
H 0.834932 -2.117694 -0.857158
H -3.790215 0.561840 -1.370547
H -1.575998 -3.132267 0.898228
H -0.654828 -3.583766 2.355976
H 0.165637 -3.517709 0.778708
H -4.513238 -2.359091 -0.641237
H -5.233819 -1.427975 -1.986201
H -3.500330 -1.845999 -2.024970
H -5.501856 -0.509053 0.977913
H -6.129130 0.374818 -0.443414
H -5.049482 1.201998 0.718728
H 2.261945 3.957131 -1.449568
H 0.750438 3.235794 -2.005272
H 5.295487 0.070784 0.078175
H 4.397720 -0.816082 1.311741


