%chk=000269847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269847

0 1
O 1.396952 1.282419 -1.677653
O 1.083648 -1.151563 0.432118
O 3.877460 0.962607 0.925213
O 4.216337 -0.992115 -1.766485
O 0.500579 -1.140800 2.621443
O 5.385304 -0.576000 1.618760
O 6.160676 0.168794 -1.740321
N -0.525081 0.786441 -0.443504
N -5.295090 0.983952 -0.427246
N -2.436870 -0.373607 -0.969741
N -1.573867 2.806126 0.585615
N -4.014012 2.684988 0.607323
C 1.682104 0.166052 0.560929
C 3.155408 -0.051705 0.173831
C 0.900319 1.156061 -0.346431
C 3.481456 0.177357 -1.312266
C 2.207928 0.199512 -2.166888
C -5.502878 -0.451666 -0.772389
C -6.530184 1.606301 0.144392
C -1.605140 1.584680 -0.034194
C -5.943007 -1.256595 0.461464
C -7.001252 0.847287 1.395344
C -7.197569 -0.646179 1.101597
C -2.798408 0.845657 -0.362219
C -4.054140 1.456971 -0.039003
C -1.103682 -0.392062 -1.020996
C 0.463117 -1.703118 1.559426
C 5.033149 0.576670 1.601630
C 5.597065 -0.883544 -1.905591
C -2.816118 3.284942 0.870113
C -0.165659 -2.983523 1.154059
C 5.636333 1.783346 2.217292
C 6.135900 -2.217316 -2.271197
H 1.610036 0.509377 1.629607
H 3.489457 -1.076261 0.491847
H 0.979432 2.214492 0.043952
H 4.100215 1.099500 -1.447355
H 2.398167 0.494379 -3.215605
H 1.660535 -0.758003 -2.131565
H -4.588196 -0.893512 -1.228464
H -6.287334 -0.485523 -1.562602
H -7.306489 1.581009 -0.651814
H -6.348748 2.680214 0.383344
H -6.131280 -2.306780 0.171398
H -5.117251 -1.287208 1.199712
H -6.258911 0.980236 2.208339
H -7.941870 1.293071 1.768246
H -8.067834 -0.786704 0.431962
H -7.442280 -1.183974 2.037006
H -0.479796 -1.178204 -1.426042
H -2.868556 4.264238 1.376186
H -0.189413 -3.696001 1.994924
H -1.211684 -2.817393 0.834811
H 0.354213 -3.465246 0.310433
H 5.889692 1.604310 3.274705
H 6.572656 2.053850 1.697240
H 4.972611 2.663328 2.168608
H 5.346957 -2.930733 -2.559785
H 6.852784 -2.140009 -3.104117
H 6.677112 -2.659023 -1.415299


%chk=000269847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269847

0 1
O 1.194737 0.210404 -2.251947
O 1.085728 -1.724682 0.050129
O 3.481846 0.977805 0.773254
O 4.685279 -0.991344 -1.661143
O 0.705747 -1.848667 2.356412
O 5.342290 -0.183670 1.580064
O 6.066463 0.881807 -1.426653
N -0.674892 0.370542 -0.807528
N -5.264577 1.169040 0.120818
N -2.774787 -0.490566 -1.068562
N -1.201618 2.457257 0.402837
N -3.607010 2.706399 0.805018
C 1.510620 -0.306513 0.196591
C 3.046412 -0.240475 0.040890
C 0.776519 0.525820 -0.875170
C 3.490238 -0.140426 -1.436311
C 2.388400 -0.654063 -2.374056
C -5.769503 -0.067192 -0.523110
C -6.311976 2.018151 0.738174
C -1.547983 1.291067 -0.211217
C -6.572773 -0.916512 0.490549
C -7.123622 1.208400 1.775389
C -7.698897 -0.083511 1.147517
C -2.852648 0.742974 -0.374328
C -3.937497 1.516465 0.174365
C -1.466912 -0.673586 -1.306080
C 0.672287 -2.389530 1.235031
C 4.697630 0.881780 1.489421
C 5.943093 -0.350530 -1.584963
C -2.308403 3.102267 0.882008
C 0.194299 -3.781555 0.902498
C 5.072825 2.225052 2.058215
C 7.052241 -1.366446 -1.682079
H 1.233035 0.048758 1.205426
H 3.506085 -1.129493 0.510660
H 0.983554 1.594842 -0.669675
H 3.738655 0.911059 -1.673523
H 2.696593 -0.560838 -3.426159
H 2.133999 -1.705894 -2.146938
H -4.924530 -0.634788 -0.941122
H -6.438323 0.229965 -1.359503
H -6.987929 2.377265 -0.067022
H -5.813683 2.887515 1.192078
H -6.993170 -1.795712 -0.034377
H -5.883013 -1.296131 1.269536
H -6.463190 0.950629 2.626082
H -7.937635 1.845573 2.171203
H -8.448998 0.189050 0.375753
H -8.228298 -0.682707 1.912181
H -1.037256 -1.507704 -1.851585
H -2.129236 4.053890 1.391918
H 0.091477 -4.369013 1.826089
H -0.790386 -3.720913 0.404058
H 0.890435 -4.278552 0.207443
H 5.731521 2.092135 2.929228
H 5.625238 2.788208 1.283220
H 4.178748 2.806550 2.330366
H 6.759969 -2.220020 -2.312577
H 7.964921 -0.889613 -2.069688
H 7.262867 -1.746225 -0.665012


