%chk=000288122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288122

0 1
O -4.395892 -1.314766 0.223517
O -5.834156 1.187969 -0.017180
O 0.180590 0.526866 2.016735
O 5.709118 -1.431287 -0.548487
O 5.302191 1.401010 -0.530283
N -0.581771 -1.714558 -0.710692
C 0.363692 -2.785002 -0.249813
C -1.633028 -1.429286 0.320166
C 1.218382 -2.304848 0.938437
C -2.326400 -0.115006 0.052533
C 2.254625 -1.293176 0.532717
C -1.642509 1.100655 -0.162133
C -0.147890 1.161960 -0.287752
C 1.983963 0.081707 0.533835
C 0.614299 0.585286 0.888818
C -3.734580 -0.094536 0.081713
C -1.210790 -2.102510 -2.008404
C 3.532268 -1.738698 0.152738
C -2.367089 2.295670 -0.313981
C 2.977958 1.012384 0.189699
C -4.449523 1.105665 -0.107531
C 4.530730 -0.823532 -0.195479
C -3.761018 2.308447 -0.296098
C 4.249640 0.573084 -0.164932
C -5.147926 -1.421121 1.465407
C -6.543162 0.409368 -1.019907
C 6.841955 -0.591001 -0.888032
C 5.150052 2.815584 -0.261542
H 1.034340 -3.032230 -1.104042
H -0.155463 -3.726424 0.033207
H -1.143570 -1.357570 1.326459
H -2.389334 -2.247085 0.398643
H 1.705959 -3.183961 1.408289
H 0.564502 -1.881116 1.737923
H 0.140426 0.592281 -1.210883
H 0.204999 2.199571 -0.459142
H -1.780244 -3.043270 -1.983357
H -0.427573 -2.183858 -2.777942
H -1.900051 -1.300475 -2.323804
H 3.768442 -2.802096 0.127635
H -1.833458 3.235499 -0.451894
H 2.744686 2.074585 0.209140
H -4.322081 3.233016 -0.419754
H -5.872406 -0.601672 1.543876
H -4.454887 -1.417427 2.310933
H -5.643395 -2.390475 1.355199
H -6.221993 -0.638489 -0.995645
H -6.375058 0.853627 -2.004305
H -7.585589 0.520745 -0.704357
H 7.120789 0.027201 -0.028779
H 6.600567 0.030654 -1.757505
H 7.611112 -1.335555 -1.121469
H 4.366769 3.238463 -0.896803
H 6.136540 3.203017 -0.546113
H 4.952539 2.987717 0.800522


%chk=000288122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288122

0 1
O -4.516817 -1.294653 0.237684
O -5.963491 1.178608 0.054230
O 0.129896 0.005965 1.969191
O 5.890891 -1.424396 -0.577734
O 5.145169 1.298688 -1.031541
N -0.462254 -1.582401 -0.527681
C 0.317481 -2.794821 -0.158737
C -1.708039 -1.434792 0.263506
C 1.347100 -2.557673 0.988647
C -2.394564 -0.080654 0.098326
C 2.361714 -1.506305 0.582386
C -1.697175 1.162558 -0.007883
C -0.177070 1.269272 -0.091794
C 1.957692 -0.154596 0.392697
C 0.583887 0.293084 0.814470
C -3.816582 -0.062458 0.124895
C -0.657777 -1.442004 -1.987480
C 3.690617 -1.859895 0.261078
C -2.444196 2.365113 -0.072111
C 2.870842 0.786093 -0.146813
C -4.549219 1.150514 0.009065
C 4.621944 -0.924573 -0.239874
C -3.853304 2.370831 -0.073430
C 4.197227 0.420764 -0.468083
C -5.198014 -1.479794 1.540955
C -6.639488 0.483994 -1.065685
C 7.079605 -0.681516 -0.108965
C 4.708464 2.665149 -1.322479
H 0.871501 -3.130512 -1.054495
H -0.367181 -3.623484 0.133683
H -1.425038 -1.542690 1.329907
H -2.438006 -2.237453 0.023770
H 1.851215 -3.521388 1.189788
H 0.817732 -2.252392 1.906998
H 0.164396 1.123741 -1.134241
H 0.111417 2.303611 0.192600
H -1.211789 -2.302813 -2.429754
H 0.324462 -1.365165 -2.486043
H -1.234987 -0.527048 -2.202344
H 4.040714 -2.890140 0.388102
H -1.906535 3.318979 -0.127558
H 2.539699 1.817649 -0.302920
H -4.426625 3.300892 -0.133711
H -5.941105 -0.679035 1.707037
H -4.457788 -1.482813 2.363448
H -5.695054 -2.460178 1.477885
H -6.328270 -0.574444 -1.117695
H -6.410794 0.992937 -2.021793
H -7.716253 0.561446 -0.850028
H 7.070436 -0.598547 0.995156
H 7.123331 0.322140 -0.560986
H 7.936773 -1.292813 -0.430388
H 3.867890 2.672349 -2.043424
H 5.584200 3.157766 -1.770345
H 4.411419 3.200304 -0.399390


