%chk=000198582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198582

0 1
O 1.853160 -2.051860 2.219550
O -2.963201 1.249233 -0.552209
O -0.791910 1.596848 -0.058309
N 3.070931 0.528247 0.285710
N 0.530959 -0.464390 1.167460
C 2.898675 0.050315 1.686962
C 3.397224 1.990001 0.219614
C 4.069645 -0.317311 -0.450550
C 1.739430 -0.952488 1.713992
C 2.177078 2.820301 0.613484
C 3.867616 -0.159241 -1.957318
C -0.701195 -1.154043 1.097364
C -1.828845 -0.516259 0.508891
C -0.845340 -2.464278 1.615920
C -3.058314 -1.210236 0.452732
C -2.065670 -3.116128 1.547651
C -3.183491 -2.492561 0.962898
C -1.753717 0.844565 -0.036186
C -3.032219 2.578661 -1.163262
C -2.441927 2.531595 -2.556650
H 2.660959 0.889839 2.380294
H 3.796877 -0.450068 2.115443
H 4.273090 2.264982 0.845330
H 3.672439 2.224019 -0.835016
H 5.119598 -0.080520 -0.174656
H 3.896899 -1.382508 -0.171171
H 1.949921 2.755321 1.682391
H 1.272310 2.485123 0.074844
H 2.324737 3.877139 0.368843
H 4.458410 -0.896811 -2.510753
H 4.154436 0.837129 -2.311652
H 2.811820 -0.303605 -2.228401
H 0.584030 0.461507 0.671401
H 0.019571 -2.963559 2.072431
H -3.919253 -0.711345 -0.005207
H -2.162922 -4.126175 1.950857
H -4.134517 -3.016785 0.914545
H -4.124415 2.748581 -1.155014
H -2.514029 3.297704 -0.504062
H -2.618191 3.466912 -3.100095
H -1.353911 2.368572 -2.520566
H -2.870449 1.712577 -3.148934


%chk=000198582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198582

0 1
O 1.946418 -2.146504 2.563937
O -2.644044 1.076672 -0.907140
O -0.369950 1.226427 -0.448004
N 2.900968 0.686772 0.413362
N 0.697253 -0.684166 1.170650
C 3.057684 -0.194690 1.585584
C 3.417087 2.068220 0.608333
C 3.342748 0.024314 -0.847104
C 1.846332 -1.126017 1.817609
C 2.511723 2.911060 1.527008
C 2.775402 0.683600 -2.118522
C -0.595333 -1.245263 1.205205
C -1.678785 -0.621602 0.484524
C -0.864389 -2.432790 1.948282
C -2.976038 -1.205086 0.532657
C -2.157854 -2.983015 1.974265
C -3.224670 -2.375318 1.267200
C -1.471804 0.614472 -0.305811
C -2.523040 2.304312 -1.750178
C -2.105793 1.944551 -3.179190
H 3.160887 0.415024 2.502941
H 3.958373 -0.846532 1.539449
H 4.463920 2.060199 1.000783
H 3.454834 2.551669 -0.382932
H 4.458680 -0.027139 -0.906709
H 2.982254 -1.021302 -0.802035
H 2.444939 2.489099 2.546857
H 1.491879 2.956476 1.107424
H 2.908747 3.939111 1.619789
H 3.008089 0.059448 -3.000875
H 3.205001 1.685007 -2.301184
H 1.680339 0.789999 -2.030936
H 0.850629 0.172628 0.592149
H -0.041733 -2.898129 2.494279
H -3.778838 -0.712854 -0.021668
H -2.334252 -3.896321 2.553777
H -4.229199 -2.809359 1.291796
H -3.533932 2.740856 -1.712158
H -1.794028 2.985953 -1.278517
H -2.115954 2.853185 -3.809613
H -1.085872 1.525174 -3.196562
H -2.802380 1.210856 -3.620126


