%chk=000193834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193834

0 1
O -5.319571 -1.567120 0.902279
N -1.613003 0.217255 -0.093670
C 0.761900 -0.088008 -0.666472
C 0.997274 1.367157 -0.255796
C -0.422854 -0.674653 0.118547
C -0.184679 2.263441 -0.290107
C -1.365867 1.596256 0.448307
C 2.100690 -0.729136 -0.372887
C 2.277639 1.572069 0.138915
C 3.005543 0.283784 0.073144
C -2.842947 -0.384977 0.515042
C 2.513525 -2.042539 -0.505831
C 2.921020 2.826794 0.588579
C 4.321068 -0.034554 0.377420
C -4.064845 0.089478 -0.289111
C 3.848450 -2.358455 -0.189549
C 4.735352 -1.371744 0.241722
C -5.317408 -0.661624 0.098756
C -6.576940 -0.207574 -0.586915
H 0.543630 -0.135655 -1.762089
H -0.666673 -1.685586 -0.272208
H -0.149383 -0.792229 1.189175
H 0.030134 3.249641 0.164059
H -0.468677 2.460909 -1.346897
H -1.163100 1.595052 1.541599
H -2.285349 2.197392 0.285142
H -2.975060 -0.140205 1.590641
H -2.789583 -1.496999 0.462902
H 1.831325 -2.816841 -0.845671
H 3.338896 2.717466 1.600397
H 2.220592 3.671780 0.612375
H 3.749964 3.106199 -0.078831
H 5.018561 0.727435 0.713731
H -4.213140 1.180070 -0.168335
H -3.861263 -0.045532 -1.375078
H 4.188520 -3.387765 -0.285715
H 5.764430 -1.636246 0.478265
H -6.855252 0.811397 -0.290317
H -7.423802 -0.861432 -0.327419
H -6.480920 -0.215797 -1.679301


%chk=000193834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193834

0 1
O -5.290662 -1.915262 0.311307
N -1.594059 0.145360 -0.189834
C 0.819710 -0.151842 -0.710643
C 1.012023 1.325308 -0.378108
C -0.398919 -0.700434 0.080040
C -0.197032 2.212466 -0.477907
C -1.386156 1.543791 0.269194
C 2.167019 -0.759405 -0.357749
C 2.282057 1.565193 0.096573
C 3.028045 0.283562 0.105279
C -2.831932 -0.466615 0.355141
C 2.623969 -2.083679 -0.440857
C 2.875820 2.870202 0.562210
C 4.356075 -0.004535 0.490941
C -4.106859 0.154150 -0.243684
C 3.958229 -2.374729 -0.049105
C 4.813092 -1.343441 0.410782
C -5.357194 -0.709331 -0.048168
C -6.695550 -0.029888 -0.317766
H 0.591413 -0.277566 -1.789198
H -0.625616 -1.735575 -0.234618
H -0.140020 -0.723738 1.168873
H -0.013925 3.216893 -0.053158
H -0.493761 2.344315 -1.537977
H -1.188211 1.579617 1.372198
H -2.306756 2.122485 0.075600
H -2.875967 -0.407008 1.471994
H -2.829641 -1.541461 0.100974
H 1.969662 -2.886445 -0.801152
H 3.235760 2.796599 1.606978
H 2.146008 3.695878 0.511193
H 3.749053 3.153623 -0.057195
H 5.025099 0.787824 0.846174
H -4.315680 1.168153 0.150301
H -3.953935 0.280384 -1.337196
H 4.330729 -3.403908 -0.103938
H 5.840186 -1.586531 0.707062
H -6.967223 0.599767 0.552577
H -7.486037 -0.782963 -0.461670
H -6.640616 0.637692 -1.196669


