%chk=000212989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212989

1 1
O -1.785281 0.846915 -1.697510
N -3.499278 0.950540 1.581839
N -0.711259 1.118814 -0.840128
C -3.248028 2.165985 0.676457
C -3.749869 1.985655 -0.758848
C -2.762710 -0.267229 1.074612
C -2.997871 1.280557 2.973760
C -4.980587 0.651072 1.657539
C -2.621173 2.037621 -1.795538
C 0.214282 0.200276 -0.843607
C 1.370699 0.418604 0.065647
C 0.253145 -1.045029 -1.646860
C 1.637709 -0.497339 1.101923
C 0.262148 -2.302299 -1.013813
C 0.798415 -1.673202 1.360483
C 0.205600 -2.455565 0.444959
C 2.203837 1.530702 -0.135516
C 0.300094 -0.953665 -3.047553
C 2.753337 -0.272877 1.932056
C 0.313918 -3.463339 -1.810159
C 3.309908 1.731847 0.689615
C 0.364124 -2.111694 -3.821009
C 3.584498 0.826863 1.722854
C 0.372691 -3.367499 -3.199587
H -3.727408 3.057150 1.141431
H -2.142616 2.370930 0.669747
H -4.486646 2.784877 -0.999062
H -4.309923 1.036044 -0.891610
H -1.666786 -0.180706 1.234374
H -3.100556 -1.194365 1.564994
H -2.881821 -0.392528 -0.025925
H -3.118646 0.425674 3.665348
H -1.920009 1.538379 2.965453
H -3.538210 2.138018 3.415175
H -5.199153 -0.169994 2.365596
H -5.560165 1.533164 1.987089
H -5.382563 0.344564 0.671957
H -2.015762 2.958660 -1.723199
H -3.012982 1.934082 -2.828629
H 0.716684 -1.937478 2.422263
H -0.350988 -3.341039 0.778150
H 1.987727 2.231914 -0.942936
H 0.288921 0.026109 -3.527076
H 2.981836 -0.976762 2.733501
H 0.327118 -4.445523 -1.335986
H 3.963922 2.589765 0.527974
H 0.410300 -2.041607 -4.908492
H 4.455199 0.981208 2.362928
H 0.428076 -4.273151 -3.806480


%chk=000212989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212989

1 1
O -1.689474 0.669470 -2.175128
N -3.362922 1.338981 1.822630
N -0.733099 0.873884 -1.067608
C -3.026728 2.031183 0.473541
C -3.655873 1.387942 -0.780375
C -2.749352 -0.062019 1.871121
C -2.740995 2.176395 2.939961
C -4.870122 1.255310 2.033333
C -2.777503 1.654998 -2.030169
C 0.206622 -0.063311 -1.002125
C 1.176154 0.190373 0.107542
C 0.370559 -1.206809 -1.941581
C 1.516374 -0.817030 1.070877
C 0.531788 -2.552883 -1.473890
C 1.068099 -2.211449 1.016246
C 0.648296 -2.947393 -0.066924
C 1.701438 1.504081 0.250602
C 0.334130 -0.951405 -3.339154
C 2.346781 -0.439882 2.170684
C 0.589521 -3.601076 -2.441692
C 2.544045 1.842310 1.328293
C 0.445600 -1.998083 -4.273737
C 2.861017 0.862180 2.300859
C 0.558942 -3.335124 -3.821044
H -3.351977 3.080887 0.586525
H -1.927578 1.991310 0.379851
H -4.672902 1.782640 -0.959343
H -3.738553 0.288956 -0.691758
H -1.672595 0.011706 1.656936
H -2.914900 -0.483679 2.874711
H -3.228427 -0.702377 1.117910
H -2.946010 1.697874 3.910007
H -1.654754 2.238021 2.774215
H -3.179511 3.185734 2.921295
H -5.072474 0.796528 3.013736
H -5.294314 2.270761 2.001644
H -5.315283 0.641153 1.237847
H -2.358310 2.679627 -2.027533
H -3.368892 1.510169 -2.949045
H 1.185703 -2.764130 1.958601
H 0.467334 -4.015071 0.118653
H 1.447645 2.252369 -0.506559
H 0.212590 0.076896 -3.689441
H 2.608367 -1.202178 2.913850
H 0.690444 -4.634357 -2.090091
H 2.955227 2.853927 1.407805
H 0.427466 -1.777965 -5.345881
H 3.515741 1.111222 3.142394
H 0.626568 -4.157563 -4.540391


