%chk=000239199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239199

0 1
O 4.572786 -2.799431 -0.004201
O 2.553662 -3.549554 -0.004232
O 4.361090 3.271590 0.006062
O 5.827938 1.675984 0.003414
O -4.118696 -3.898363 -0.005537
O -4.719730 -1.818007 -0.003652
N -0.706258 1.991290 0.003710
N 3.364691 -2.642712 -0.003461
N 4.687568 2.100200 0.004092
N -3.883017 -2.703123 -0.004231
C 1.540999 -0.838898 -0.000794
C 0.235139 -1.546766 -0.002042
C 1.264070 0.572062 0.001384
C -0.810619 -0.559901 -0.000666
C -0.212711 0.809242 0.001589
C 2.880219 -1.239507 -0.001318
C 2.251345 1.537347 0.002978
C -0.099742 -2.890478 -0.004096
C -2.144155 -0.911979 -0.001242
C 3.592926 1.094028 0.002397
C 3.906500 -0.260082 0.000283
C -2.453814 -2.290772 -0.003397
C -1.458656 -3.265885 -0.004791
C -2.100896 2.304536 0.003547
C -2.758819 2.523854 1.226855
C -2.766391 2.497315 -1.220172
C -4.092062 2.939075 1.214586
C -4.099472 2.913087 -1.208720
C -4.764185 3.130686 0.002779
H 2.009945 2.612628 0.004634
H 0.658339 -3.684560 -0.005201
H -2.950859 -0.165988 -0.000126
H 4.967649 -0.581509 -0.000161
H -1.731632 -4.330247 -0.006423
H -2.231495 2.386673 2.168926
H -2.244959 2.339942 -2.162320
H -4.610884 3.113626 2.157806
H -4.624045 3.067430 -2.152285
H -5.805268 3.450469 0.002526


%chk=000239199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239199

0 1
O 4.575716 -2.889133 0.071285
O 2.665493 -3.409793 -1.052028
O 4.247710 3.351284 0.527487
O 5.836282 1.726250 0.301900
O -4.072858 -4.179312 -0.017160
O -4.774006 -2.012808 0.133950
N -0.749620 1.926262 0.272728
N 3.407383 -2.593477 -0.383240
N 4.611799 2.127184 0.350355
N -3.850836 -2.909583 0.031763
C 1.524350 -0.869694 -0.111794
C 0.232098 -1.604540 -0.159182
C 1.218050 0.519810 0.080216
C -0.839194 -0.645856 -0.032989
C -0.256048 0.723408 0.102147
C 2.904299 -1.213436 -0.152888
C 2.190949 1.515160 0.221640
C -0.069521 -2.984296 -0.245417
C -2.179226 -1.063296 0.037811
C 3.540695 1.108272 0.190348
C 3.910627 -0.236594 0.013343
C -2.438764 -2.447899 -0.037323
C -1.412546 -3.407803 -0.182485
C -2.097318 2.326552 0.155315
C -2.586967 3.263418 1.110440
C -2.929109 1.946620 -0.940632
C -3.906990 3.745302 1.015419
C -4.233602 2.467424 -1.047875
C -4.736501 3.351999 -0.063062
H 1.911308 2.562358 0.359501
H 0.722319 -3.721508 -0.372686
H -3.010898 -0.366316 0.154134
H 4.965321 -0.522932 -0.000097
H -1.677651 -4.466119 -0.247333
H -1.922272 3.582925 1.918919
H -2.533913 1.286196 -1.720507
H -4.284167 4.442521 1.771005
H -4.859878 2.181936 -1.899739
H -5.756012 3.742817 -0.144767


