%chk=000229878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229878

0 1
O 6.364682 -1.552445 -1.412596
O 6.513443 -1.021542 0.758906
O -3.281368 2.948272 -0.501174
O -1.139411 3.062984 -0.271195
O -4.625450 -3.025100 0.161819
O -5.677496 -1.170318 -0.210432
N 0.280327 0.958125 0.181546
N 1.440454 0.240335 0.408072
N -2.200163 2.428631 -0.305307
N -4.663424 -1.817052 -0.006430
C 3.779071 -0.059211 0.727713
C 2.597077 0.845502 0.467201
C 4.563474 -0.308318 -0.562937
C -0.917686 0.276250 0.137563
C -2.140657 0.991287 -0.100743
C -0.986840 -1.145625 0.323563
C -3.365376 0.286905 -0.144529
C -3.390196 -1.086675 0.040018
C 2.862729 2.307263 0.316360
C -2.182844 -1.809442 0.277276
C 5.879996 -0.964904 -0.266829
H 3.450618 -1.031835 1.163490
H 4.436259 0.393596 1.505708
H 3.971541 -0.935294 -1.270176
H 4.752193 0.640273 -1.115086
H -0.053923 -1.691760 0.505909
H 0.293473 1.999462 0.047362
H -4.303144 0.843935 -0.327902
H 2.510576 2.700057 -0.650658
H 3.933492 2.554172 0.378775
H 2.369822 2.897497 1.106846
H -2.242175 -2.897401 0.419432
H 7.246426 -1.995724 -1.277064


%chk=000229878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229878

0 1
O 6.750340 -1.213940 -1.429742
O 6.528916 -1.128614 0.881737
O -3.234539 3.041238 -0.545929
O -0.968206 3.037538 -0.322581
O -4.850902 -2.967178 0.285236
O -5.857601 -0.960917 -0.146565
N 0.291486 0.815684 0.166539
N 1.432772 0.044484 0.398493
N -2.130353 2.416195 -0.334359
N -4.814478 -1.690064 0.077756
C 3.816172 -0.152244 0.676006
C 2.585074 0.691051 0.425745
C 4.732452 -0.230466 -0.570394
C -0.945863 0.214581 0.144327
C -2.152417 0.973855 -0.099029
C -1.081427 -1.196432 0.363934
C -3.417683 0.346604 -0.119570
C -3.495380 -1.032572 0.099736
C 2.736102 2.190216 0.232467
C -2.328794 -1.812819 0.343121
C 6.061357 -0.893622 -0.253073
H 3.503188 -1.167611 0.971067
H 4.399179 0.269846 1.517117
H 4.245015 -0.783272 -1.392891
H 4.957588 0.778438 -0.970198
H -0.167782 -1.763908 0.548403
H 0.290290 1.842135 -0.001632
H -4.317845 0.938083 -0.304952
H 2.384595 2.517482 -0.766388
H 3.787579 2.499235 0.337705
H 2.147001 2.754610 0.982480
H -2.436961 -2.887660 0.510128
H 7.626626 -1.628058 -1.200192


