%chk=000217139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217139

0 1
O -1.628419 -1.615989 1.028920
O 1.794035 2.512001 0.692667
N -3.138024 0.030289 0.602621
N 1.606606 0.326125 -0.105022
N -5.690910 -0.350771 -0.700194
C -0.804716 0.200971 -0.324416
C 0.502324 -0.630869 -0.417318
C -0.406179 1.516043 0.363628
C -1.874106 -0.561482 0.461214
C -4.216094 -0.769317 1.255914
C -3.683529 1.051753 -0.327527
C 1.115460 1.565536 0.362114
C -5.146441 -1.409338 0.205757
C -4.595472 0.397497 -1.389538
C 2.977132 -0.066154 -0.223466
C 4.001865 0.887401 -0.054605
C 3.303857 -1.404876 -0.519792
C 5.333028 0.497346 -0.188847
C 4.645312 -1.771501 -0.651422
C 5.663370 -0.828831 -0.490107
H -1.182186 0.403532 -1.354869
H 0.495795 -1.471480 0.321290
H 0.636311 -1.061634 -1.429773
H -0.770582 1.574472 1.411385
H -0.814876 2.407714 -0.145448
H -4.792405 -0.082910 1.916700
H -3.758972 -1.556886 1.900062
H -2.875633 1.632602 -0.813222
H -4.281107 1.774130 0.281229
H -4.604826 -2.215879 -0.334386
H -6.010385 -1.885272 0.720983
H -5.069475 1.190676 -2.009479
H -3.991145 -0.235568 -2.073360
H -6.300105 -0.785174 -1.403070
H 3.759639 1.927217 0.188301
H 2.536398 -2.163951 -0.637485
H 6.123032 1.237008 -0.056364
H 4.895613 -2.807310 -0.879949
H 6.704410 -1.122820 -0.594025


%chk=000217139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217139

0 1
O -1.630457 -1.636650 1.369731
O 1.805049 2.647705 0.578385
N -3.183204 -0.229380 0.364006
N 1.648378 0.335512 -0.000389
N -5.805382 -0.153813 -0.738263
C -0.740363 0.112310 -0.096225
C 0.581086 -0.696901 -0.084170
C -0.363019 1.433417 0.629574
C -1.882041 -0.657852 0.592331
C -4.305262 -0.906830 1.061163
C -3.606669 0.914161 -0.474496
C 1.147419 1.584811 0.401633
C -5.379508 -1.336468 0.042435
C -4.688857 0.462059 -1.481868
C 3.018294 -0.007994 -0.213647
C 4.035501 0.987121 -0.272722
C 3.377491 -1.375638 -0.376295
C 5.374375 0.606644 -0.497073
C 4.722024 -1.737587 -0.601612
C 5.731190 -0.751293 -0.666571
H -1.001389 0.342259 -1.145042
H 0.599634 -1.375942 0.788160
H 0.700625 -1.297042 -1.002766
H -0.540884 1.360566 1.719762
H -0.893878 2.326751 0.263415
H -4.755490 -0.201350 1.787187
H -3.889350 -1.770771 1.602888
H -2.747439 1.344264 -1.010047
H -4.040002 1.698904 0.177806
H -4.956201 -2.149727 -0.596950
H -6.250782 -1.744425 0.585473
H -5.060771 1.344044 -2.034276
H -4.214531 -0.236075 -2.216988
H -6.632964 -0.326584 -1.320457
H 3.767561 2.035424 -0.131178
H 2.620563 -2.162467 -0.311558
H 6.145271 1.384428 -0.539412
H 4.978160 -2.796296 -0.721330
H 6.774421 -1.034995 -0.841516


