%chk=000186052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186052

0 1
O -0.317465 -0.047770 0.117383
O 5.906886 1.650925 -0.593921
O -1.855082 -1.666128 0.747600
O 3.674291 2.149477 -0.760759
N -2.464024 0.466901 -0.056255
N 4.460172 0.062306 0.025411
C 3.235445 -0.619632 0.297538
C 0.846437 -0.773942 0.381244
C 1.990159 -0.018828 0.082110
C 3.327994 -1.939121 0.798310
C 0.897211 -2.076388 0.876022
C -3.896205 0.392971 -0.013937
C 2.159629 -2.645432 1.079160
C -4.606800 1.533667 -0.439647
C -4.573673 -0.754580 0.428215
C -1.607674 -0.564181 0.326590
C -6.001658 1.509347 -0.416538
C -5.969912 -0.753310 0.441623
C -6.687181 0.371270 0.022075
C 4.551804 1.369112 -0.472806
C 6.215516 2.978554 -1.102577
H 1.892136 1.001172 -0.304777
H 4.294721 -2.405204 0.965369
H -0.012199 -2.639029 1.099535
H 2.227135 -3.664385 1.465905
H -2.041019 1.340222 -0.392233
H 5.336158 -0.439162 0.207310
H -4.085658 2.423996 -0.782612
H -4.021839 -1.639868 0.758657
H -6.559262 2.387074 -0.743997
H -6.501732 -1.641819 0.784028
H -7.774695 0.361819 0.036473
H 5.797659 3.093977 -2.108035
H 7.311361 2.971134 -1.109895
H 5.813266 3.736354 -0.422269


%chk=000186052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186052

0 1
O -0.351955 -0.104319 0.149032
O 5.987931 1.663292 -0.605726
O -1.933740 -1.777993 0.784227
O 3.700783 2.202258 -0.782123
N -2.528403 0.372108 -0.012504
N 4.480128 0.103157 0.011650
C 3.280821 -0.603872 0.295060
C 0.859437 -0.809522 0.401712
C 2.000329 -0.038062 0.095331
C 3.401479 -1.928477 0.797222
C 0.948209 -2.128555 0.901843
C -3.950960 0.345659 0.006871
C 2.241348 -2.667816 1.091506
C -4.626174 1.519701 -0.422512
C -4.698355 -0.785107 0.429262
C -1.656127 -0.634533 0.356438
C -6.034453 1.564215 -0.429881
C -6.108354 -0.722681 0.415351
C -6.786501 0.442070 -0.010497
C 4.610094 1.389580 -0.482816
C 6.307380 3.008968 -1.124517
H 1.891630 0.977191 -0.289675
H 4.392932 -2.370065 0.953317
H 0.051624 -2.703649 1.130337
H 2.337766 -3.687980 1.477881
H -2.078074 1.231427 -0.335999
H 5.362716 -0.381999 0.186735
H -4.049256 2.394290 -0.749308
H -4.177668 -1.686328 0.758815
H -6.542796 2.475490 -0.763267
H -6.680378 -1.598174 0.742350
H -7.880858 0.476315 -0.016133
H 5.881398 3.144638 -2.132878
H 7.405533 3.043910 -1.153019
H 5.904415 3.786362 -0.453786


