%chk=000186529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186529

0 1
O -3.947313 -1.061776 -0.531337
O -5.357957 1.386795 0.149856
O -1.439618 -3.396978 -0.568241
O -2.702083 -2.612007 0.992591
N -1.797670 -2.499797 0.170384
C -1.857250 -0.011241 0.176737
C 0.968840 0.088666 0.038049
C -1.194455 1.234562 0.209994
C 0.216805 1.292605 0.138030
C -3.378754 -0.016272 0.268083
C 0.311345 -1.173826 0.017617
C 2.412810 0.149364 -0.040102
C -1.101149 -1.195487 0.111988
C -4.016261 1.261149 -0.343916
C 3.081903 1.404815 -0.020964
C 3.177220 -1.045557 -0.135399
C -1.982544 2.470952 0.332717
C 0.934377 2.556724 0.156265
C -3.298539 2.501163 0.095779
C 1.123719 -2.373465 -0.080845
C 2.285068 2.613098 0.080178
C 2.475235 -2.313996 -0.153664
C 4.483019 1.447971 -0.097965
C 4.578163 -0.972555 -0.210662
C 5.221545 0.266034 -0.192003
H -3.679898 -0.141189 1.337163
H -4.046569 1.175254 -1.458657
H -1.437897 3.369725 0.633837
H 0.341148 3.472199 0.232538
H -3.920098 3.390609 0.199394
H 0.618908 -3.345898 -0.117803
H 2.812795 3.568442 0.092819
H 3.073427 -3.224382 -0.231898
H 4.997864 2.408573 -0.084406
H 5.165120 -1.888241 -0.284470
H -4.270457 -1.804858 0.042525
H 6.309327 0.311687 -0.251450
H -5.903528 0.642939 -0.194664


%chk=000186529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186529

0 1
O -4.145730 -1.057782 -0.441597
O -5.463387 1.365355 -0.056472
O -1.485143 -3.455881 -0.582577
O -2.704075 -2.610062 1.142737
N -1.803179 -2.485924 0.203725
C -1.895673 -0.003333 0.175223
C 0.981421 0.089581 0.021764
C -1.217174 1.255595 0.229153
C 0.217257 1.308254 0.150568
C -3.437105 0.014313 0.270169
C 0.312742 -1.189850 -0.021128
C 2.419510 0.145728 -0.052619
C -1.119632 -1.186514 0.089230
C -4.037916 1.284769 -0.364568
C 3.103402 1.414017 -0.021252
C 3.193961 -1.064125 -0.156234
C -2.013484 2.487708 0.394143
C 0.935512 2.564243 0.167577
C -3.351390 2.518948 0.144782
C 1.115684 -2.389243 -0.118125
C 2.315185 2.616446 0.084462
C 2.496462 -2.323960 -0.176682
C 4.522206 1.451169 -0.097902
C 4.612380 -0.988167 -0.229437
C 5.269407 0.258910 -0.200869
H -3.717076 -0.000407 1.345999
H -3.891940 1.194589 -1.467506
H -1.510790 3.399261 0.727085
H 0.378320 3.501401 0.230088
H -3.953768 3.425563 0.256785
H 0.623622 -3.361293 -0.166279
H 2.831093 3.583476 0.096355
H 3.081835 -3.247604 -0.249418
H 5.032729 2.420752 -0.076326
H 5.191970 -1.914965 -0.308460
H -4.142349 -1.877967 0.121235
H 6.361889 0.302361 -0.258687
H -5.850179 0.490437 -0.326845


