%chk=000187025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187025

0 1
O -0.746566 -1.847452 -1.187700
O 1.238685 -2.658732 1.510102
O -0.444250 -4.464685 1.013873
O -3.649418 -2.602842 -0.177712
O -2.199823 4.281538 0.341331
N -0.098976 0.126203 -0.103670
N 0.246346 2.394852 0.053934
N -2.623474 0.165444 0.071820
N -3.537585 2.426480 0.192609
N -4.975719 0.571029 -0.146107
C 0.198119 -1.298958 -0.239080
C 0.016067 -2.077791 1.100791
C -1.035114 -3.180517 0.799607
C -1.294316 -3.112158 -0.718490
C -2.760263 -3.134819 -1.169000
C -1.353856 0.744132 0.008037
C 0.866594 1.217249 -0.072070
C -1.125918 2.135193 0.106138
C 2.307937 0.986366 -0.169210
C -2.250276 3.086505 0.223813
C -3.701456 1.129250 0.056092
C 2.958553 0.059689 0.660760
C 3.052864 1.743725 -1.090790
C 4.337208 -0.124217 0.553233
C 4.430462 1.557715 -1.193398
C 5.083725 0.621130 -0.374170
C 6.561420 0.438108 -0.483849
H 1.218217 -1.432616 -0.684953
H -0.256358 -1.416741 1.955278
H -1.949153 -3.079625 1.418111
H -0.710462 -3.907808 -1.246794
H -2.906903 -2.447722 -2.034865
H -3.080556 -4.154303 -1.449496
H 1.498892 -3.402780 0.902405
H -0.169971 -4.558435 1.961128
H -2.759320 -0.807317 -0.230937
H -3.824130 -3.267903 0.522743
H 2.394968 -0.513575 1.400849
H 2.547379 2.484646 -1.715279
H 4.835606 -0.841555 1.202681
H 5.002698 2.148943 -1.906811
H -5.758511 1.197253 0.033081
H -5.134230 -0.382676 0.152505
H 7.093737 1.298362 -0.048609
H 6.920932 -0.458195 0.037873
H 6.887096 0.354609 -1.530304


%chk=000187025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187025

0 1
O -0.991116 -1.958149 -1.162786
O 1.320959 -3.187625 0.750197
O -0.991360 -4.283387 1.649384
O -3.786139 -2.450816 -0.344723
O -2.046639 4.248648 0.482505
N -0.090938 0.041508 -0.200732
N 0.312142 2.281125 0.079444
N -2.605130 0.170023 -0.144138
N -3.484872 2.413175 0.164119
N -4.921038 0.580535 -0.170413
C 0.147598 -1.389638 -0.397457
C 0.237231 -2.224145 0.919097
C -1.118243 -2.983720 0.977489
C -1.419865 -3.222010 -0.515912
C -2.875651 -3.477018 -0.905940
C -1.324189 0.685277 -0.082891
C 0.903430 1.083971 -0.097487
C -1.068211 2.056017 0.093963
C 2.363353 0.913708 -0.194795
C -2.182303 3.012859 0.269088
C -3.646875 1.115215 -0.043931
C 3.083838 -0.266411 0.139380
C 3.109274 2.055165 -0.616096
C 4.491541 -0.304562 0.022217
C 4.508461 2.005269 -0.722325
C 5.231821 0.820248 -0.413372
C 6.744112 0.776872 -0.535749
H 1.078176 -1.520166 -0.972833
H 0.415201 -1.579550 1.800185
H -1.895482 -2.350253 1.447191
H -0.795885 -4.065151 -0.878221
H -2.976540 -3.398149 -2.000119
H -3.178065 -4.490078 -0.582580
H 1.039169 -4.034282 1.195818
H -1.146771 -4.184330 2.622185
H -2.817592 -0.814913 -0.362934
H -4.173538 -2.763413 0.508737
H 2.588000 -1.160757 0.526659
H 2.557899 2.972174 -0.845139
H 5.020060 -1.228160 0.287116
H 5.053202 2.898415 -1.052613
H -5.687645 1.248565 -0.147207
H -5.066602 -0.361443 -0.530952
H 7.222131 1.506165 0.145638
H 7.142583 -0.222962 -0.292106
H 7.071408 1.031158 -1.561461


