%chk=000180354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180354

0 1
O -1.574617 0.097982 0.332804
O -1.373600 2.224240 -0.513124
O 0.418227 -2.725565 1.402704
O -0.048206 -3.000908 -0.763088
N 0.350169 1.235436 0.703467
C 1.438477 2.149337 0.223833
C 0.977495 -0.048261 1.147385
C 2.585259 1.838253 1.215035
C 2.341175 0.402561 1.728215
C 1.804372 1.873482 -1.248954
C 1.126876 -0.989163 -0.034732
C 2.520464 0.541757 -1.509286
C 1.747134 -0.700399 -1.192015
C -0.912772 1.269416 0.084809
C 0.444840 -2.296552 0.090601
C -2.979248 -0.105531 -0.140903
C -3.003166 0.037789 -1.654906
C -3.196631 -1.543877 0.321646
C -3.866061 0.901791 0.573932
H 1.077267 3.203497 0.321961
H 0.323167 -0.508812 1.933629
H 2.565511 2.556091 2.054454
H 3.573360 1.939576 0.739804
H 3.150445 -0.282184 1.427427
H 2.309887 0.380820 2.831362
H 2.443819 2.700388 -1.617338
H 0.877696 1.926179 -1.861796
H 3.473136 0.512298 -0.930436
H 2.828937 0.520715 -2.577703
H 1.742010 -1.442626 -2.003664
H -2.264152 -0.616715 -2.133556
H -3.985638 -0.212293 -2.067287
H -2.768300 1.069963 -1.962007
H -3.046771 -1.642042 1.403623
H -2.485133 -2.228420 -0.164484
H -4.208308 -1.887323 0.084526
H -3.617750 1.932052 0.269192
H -4.924943 0.738894 0.351550
H -3.737525 0.853451 1.661539
H -0.051405 -3.595996 1.503282


%chk=000180354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180354

0 1
O -1.663462 0.067980 0.327406
O -1.384972 2.250214 -0.573644
O 0.373301 -2.846402 1.196029
O 1.019689 -3.398716 -0.960109
N 0.369608 1.091860 0.442282
C 1.401953 2.103680 0.121237
C 0.989580 -0.135151 0.990575
C 2.430506 1.897707 1.269233
C 2.232865 0.426044 1.766641
C 1.970839 1.874553 -1.303991
C 1.370530 -1.106256 -0.135356
C 2.789563 0.571212 -1.513823
C 2.123858 -0.761428 -1.226387
C -0.932817 1.222943 0.010685
C 0.925588 -2.526088 -0.059899
C -3.136632 -0.030748 -0.038787
C -3.290280 0.046595 -1.571330
C -3.498154 -1.429242 0.492509
C -3.926256 1.074448 0.691335
H 0.936162 3.103285 0.149626
H 0.281145 -0.635843 1.663440
H 2.217896 2.607244 2.086921
H 3.462983 2.087795 0.925516
H 3.122187 -0.200616 1.584929
H 2.031839 0.407338 2.850780
H 2.628128 2.729927 -1.558392
H 1.122363 1.900168 -2.013014
H 3.710882 0.623849 -0.891092
H 3.147458 0.561300 -2.560124
H 2.313900 -1.566171 -1.951633
H -2.662294 -0.719926 -2.059449
H -4.344089 -0.143692 -1.846477
H -3.000212 1.041194 -1.944597
H -3.337099 -1.484399 1.582995
H -2.872168 -2.198458 0.007869
H -4.559446 -1.650080 0.279031
H -3.632900 2.070732 0.325354
H -5.008301 0.932234 0.514198
H -3.744880 1.022046 1.779751
H 0.096636 -3.801831 1.181263


