%chk=000200932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200932

0 1
O -1.095460 3.451334 0.571079
N -3.145726 0.557121 -0.007606
N 1.051069 0.856376 -0.929848
N -3.165214 2.629301 1.123841
C -1.746700 1.121146 -0.079656
C -0.710098 0.332519 0.741004
C -1.321024 1.228173 -1.554284
C 0.704099 0.897299 0.532784
C 0.114869 1.758586 -1.682684
C -1.898491 2.544470 0.538027
C -3.991832 1.421384 0.888597
C 2.493247 1.258146 -1.146531
C -3.376960 -0.851255 0.013522
C 3.406444 0.318511 -0.373804
C 2.854866 1.169013 -2.637914
C -4.391342 -1.419519 0.812217
C -2.653916 -1.680235 -0.875026
C 4.419055 0.843559 0.439174
C 3.267740 -1.073957 -0.487337
C -4.671854 -2.784571 0.713494
C -2.945482 -3.038588 -0.954165
C 5.285391 -0.009509 1.128522
C 4.129158 -1.926832 0.201168
C -3.954430 -3.601034 -0.162258
C 5.147481 -1.400218 1.014534
C 6.068369 -2.323337 1.745459
H -0.717126 -0.735134 0.434216
H -0.966212 0.341922 1.816181
H -2.020804 1.872611 -2.118113
H -1.387650 0.218184 -2.022980
H 0.769391 1.925639 0.957933
H 1.429919 0.265171 1.090409
H 0.401961 1.759310 -2.755709
H 0.160640 2.815148 -1.327032
H -4.244286 0.934075 1.862418
H -4.934681 1.666395 0.342338
H 2.667495 2.313636 -0.800829
H -3.564035 3.471687 1.511223
H 3.940238 1.236811 -2.777564
H 2.393974 1.971876 -3.221505
H 2.528349 0.212984 -3.067941
H -4.962973 -0.815383 1.510741
H -1.874381 -1.250919 -1.512956
H 4.538880 1.921237 0.538625
H 2.470764 -1.480999 -1.112142
H -5.459791 -3.213454 1.332722
H -2.383132 -3.669589 -1.642901
H 6.068286 0.411689 1.754964
H 4.012869 -3.004192 0.107918
H -4.176219 -4.662145 -0.231524
H 6.636791 -2.952155 1.045427
H 6.799577 -1.790331 2.366185
H 5.511196 -2.997862 2.410788


%chk=000200932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200932

0 1
O -1.327009 3.606407 0.560028
N -3.054669 0.451642 0.335550
N 1.070029 0.950410 -0.804934
N -3.417115 2.619047 0.982713
C -1.757672 1.162854 0.113616
C -0.608643 0.604947 1.013021
C -1.341218 1.185158 -1.391274
C 0.774745 1.170875 0.640740
C 0.088867 1.715743 -1.623027
C -2.099265 2.608598 0.565543
C -4.102346 1.333546 0.884126
C 2.500846 1.274515 -1.111060
C -3.348961 -0.901950 0.102046
C 3.438358 0.315147 -0.368104
C 2.805353 1.197350 -2.629605
C -4.661743 -1.396746 0.388868
C -2.394829 -1.833692 -0.418369
C 4.618533 0.790856 0.248695
C 3.181758 -1.079518 -0.344791
C -4.997328 -2.747273 0.164282
C -2.748148 -3.179679 -0.636207
C 5.523837 -0.101745 0.869033
C 4.083005 -1.967343 0.277086
C -4.048138 -3.657231 -0.350750
C 5.273894 -1.496093 0.893057
C 6.242376 -2.460941 1.557071
H -0.579094 -0.493153 0.920068
H -0.832444 0.836538 2.071805
H -2.061614 1.805332 -1.958065
H -1.404952 0.161607 -1.795919
H 0.823580 2.256439 0.893665
H 1.541332 0.649343 1.239540
H 0.323915 1.583079 -2.691994
H 0.132312 2.806666 -1.392127
H -4.456687 0.982494 1.879146
H -4.985021 1.393471 0.208904
H 2.740847 2.316642 -0.772200
H -3.866478 3.466971 1.326880
H 3.895821 1.262376 -2.786825
H 2.336120 2.020145 -3.196563
H 2.458014 0.232786 -3.042775
H -5.432131 -0.731147 0.789860
H -1.376145 -1.521371 -0.656412
H 4.831442 1.867782 0.249456
H 2.256786 -1.447851 -0.802928
H -6.013629 -3.086834 0.396439
H -1.990059 -3.863130 -1.036395
H 6.431723 0.290175 1.344143
H 3.863931 -3.042972 0.287887
H -4.311739 -4.705376 -0.524136
H 6.651088 -3.186322 0.828062
H 7.094477 -1.927492 2.012659
H 5.746386 -3.046990 2.353669


