%chk=000237982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237982

0 1
O -4.332314 -1.621463 -0.673899
O -3.060577 -1.040105 -2.423933
O -1.016963 -0.525660 1.889816
N -1.283999 -0.029335 -0.324755
N 1.517294 0.252526 -0.461088
C -3.606456 2.313243 0.757007
C -3.260221 1.508795 -0.517687
C -2.752014 0.085901 -0.223796
C -2.391650 2.482057 1.671760
C -4.777159 1.674809 1.512331
C -3.336935 -0.880901 -1.260611
C -0.513173 -0.308515 0.798237
C 0.986669 -0.375799 0.586803
C 3.732954 -0.511664 0.279671
C 2.894168 0.195994 -0.630914
C 1.756989 -1.102974 1.551185
C 3.118587 -1.167281 1.390481
C 5.143314 -0.532864 0.044629
C 3.472334 0.871056 -1.758109
C 5.672259 0.119314 -1.040000
C 4.828314 0.827823 -1.949551
H -3.927942 3.331681 0.414585
H -4.160929 1.467329 -1.163675
H -2.508270 2.069841 -1.108926
H -3.082505 -0.239723 0.813513
H -2.084087 1.528717 2.128664
H -1.525545 2.875185 1.130235
H -2.607544 3.170546 2.495626
H -5.666080 1.579246 0.880873
H -4.526070 0.671078 1.879940
H -5.055814 2.272643 2.387368
H -0.852914 0.231643 -1.216522
H 1.239434 -1.575459 2.389932
H 3.744538 -1.710385 2.099793
H -4.754530 -2.271055 -1.298528
H 5.781485 -1.074821 0.741972
H 2.807060 1.404975 -2.438734
H 6.745890 0.109254 -1.228405
H 5.287603 1.333147 -2.799690


%chk=000237982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237982

0 1
O -4.488533 -1.117409 -1.695997
O -2.407473 -0.870963 -2.698392
O -1.249087 -0.779125 1.902533
N -1.331531 0.036977 -0.293222
N 1.346894 0.011685 -0.488249
C -3.551640 2.185083 0.939478
C -3.454633 1.441494 -0.425035
C -2.788023 0.024524 -0.413467
C -2.192691 2.685251 1.486514
C -4.302930 1.354547 2.008331
C -3.155017 -0.695065 -1.712179
C -0.673424 -0.406066 0.827254
C 0.833925 -0.400734 0.690988
C 3.613204 -0.385615 0.435368
C 2.724214 0.025007 -0.635901
C 1.631787 -0.825690 1.800596
C 3.019245 -0.815645 1.668086
C 5.027967 -0.345074 0.219183
C 3.278792 0.457544 -1.882847
C 5.543537 0.082863 -1.006717
C 4.663498 0.485590 -2.063253
H -4.166725 3.084752 0.718486
H -4.484057 1.308084 -0.811252
H -2.909420 2.074187 -1.154101
H -3.186836 -0.555453 0.437783
H -1.584524 1.850308 1.873056
H -1.609420 3.212038 0.708322
H -2.356829 3.389271 2.323933
H -5.270449 0.977301 1.625790
H -3.695405 0.492133 2.340022
H -4.509499 1.973365 2.901049
H -0.743933 0.250169 -1.110901
H 1.119835 -1.143537 2.712454
H 3.664744 -1.132776 2.495179
H -4.708410 -1.551447 -2.564704
H 5.700200 -0.654807 1.028296
H 2.585977 0.757568 -2.674960
H 6.626664 0.111905 -1.167477
H 5.085205 0.816558 -3.018450


