%chk=000213958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213958

0 1
O -2.672528 2.275375 0.401850
O 1.813775 3.314148 0.200751
N -1.714712 -2.701223 0.238621
N 0.908118 1.223683 0.485001
N 5.655917 0.193692 -0.487182
C 0.176542 -1.111962 0.372935
C -0.336987 0.372833 0.380200
C -0.611596 -2.072932 -0.574937
C -1.065897 0.860879 -0.888963
C -2.052887 -0.202632 -1.399245
C -1.173388 -1.397431 -1.831228
C -0.033398 -1.749491 1.772452
C 1.649347 -0.958728 0.084381
C -1.324604 -2.578377 1.684905
C -1.629174 2.266018 -0.598975
C -3.061514 -0.641071 -0.358658
C -3.062782 -2.122095 -0.047900
C 2.049486 0.405760 0.204487
C -0.578355 3.176819 0.068637
C 0.819691 2.616132 0.233230
C 2.607360 -1.919973 -0.194105
C -3.910618 0.197295 0.246898
C -3.930635 1.677389 0.024436
C 3.363580 0.814454 0.052323
C 3.946459 -1.543004 -0.358091
C 4.323294 -0.187649 -0.239993
H -0.986048 0.561059 1.273178
H 0.062240 -2.918164 -0.869642
H -0.307542 0.997438 -1.711632
H -2.609004 0.197059 -2.281932
H -1.755786 -2.122662 -2.429951
H -0.346547 -1.066554 -2.487305
H -0.081240 -0.988452 2.568100
H 0.828356 -2.391589 2.031245
H -1.162134 -3.614048 2.053252
H -2.126930 -2.137479 2.306714
H -2.034584 2.724043 -1.526768
H -3.750103 -2.365114 0.790958
H -3.463266 -2.680185 -0.929425
H -0.963142 3.456425 1.084513
H -0.504052 4.143028 -0.472931
H 2.327952 -2.969665 -0.284584
H -4.631217 -0.160309 0.981784
H -4.186596 1.943009 -1.016988
H -4.626492 2.193469 0.716534
H 3.632949 1.867617 0.137690
H 4.689930 -2.298195 -0.589061
H 6.368109 -0.513330 -0.397981
H 5.948452 1.100486 -0.155399


%chk=000213958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213958

0 1
O -2.813192 2.239317 0.467673
O 1.853781 3.343249 0.186173
N -1.744968 -2.588694 0.361137
N 0.955707 1.195264 0.451317
N 5.741289 0.209660 -0.495776
C 0.234733 -1.135832 0.410486
C -0.286471 0.348215 0.422502
C -0.608517 -2.091036 -0.506288
C -1.092119 0.846306 -0.803983
C -2.047962 -0.229129 -1.393498
C -1.142880 -1.425252 -1.790779
C 0.012302 -1.810182 1.802797
C 1.708109 -0.969701 0.069171
C -1.479758 -2.199399 1.782213
C -1.657712 2.249117 -0.452228
C -3.162803 -0.718518 -0.454501
C -3.103266 -2.207487 -0.131315
C 2.101499 0.391166 0.175536
C -0.592627 3.105362 0.302657
C 0.847505 2.576024 0.300270
C 2.686641 -1.935176 -0.224321
C -4.070592 0.121838 0.111604
C -4.041546 1.622643 -0.089028
C 3.429012 0.815545 0.000400
C 4.031273 -1.544769 -0.418004
C 4.411274 -0.173161 -0.306672
H -0.885279 0.537669 1.333692
H 0.039973 -2.947204 -0.782181
H -0.349419 1.034515 -1.610210
H -2.515426 0.204853 -2.303912
H -1.694923 -2.167084 -2.395991
H -0.291093 -1.078922 -2.405563
H 0.274260 -1.139265 2.639030
H 0.652250 -2.708834 1.872720
H -1.705314 -3.035148 2.470112
H -2.108100 -1.330610 2.087912
H -1.966678 2.750472 -1.396553
H -3.840103 -2.473822 0.647092
H -3.344521 -2.819852 -1.021566
H -0.940382 3.161290 1.353219
H -0.554173 4.137500 -0.078154
H 2.417829 -2.995497 -0.302349
H -4.833408 -0.284455 0.789594
H -4.125160 1.891616 -1.166425
H -4.868282 2.109595 0.453956
H 3.683789 1.874432 0.086207
H 4.792900 -2.298411 -0.651267
H 6.455649 -0.476998 -0.716650
H 6.014697 1.184589 -0.418054


