%chk=000190045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190045

0 1
O -4.637909 2.889367 -0.765081
O 4.166218 1.103157 0.106362
O 2.211355 1.908312 -0.701092
O -0.262038 -3.750225 0.017004
N -1.082131 -1.894787 0.817320
N -1.226926 -3.046997 0.164479
C -2.282176 -1.014798 0.926291
C -2.312593 0.032540 -0.198509
C 0.211790 -1.389053 1.364895
C 0.938038 -0.510650 0.336543
C -3.484238 0.995600 -0.009766
C 2.239085 0.052684 0.910162
C -3.505970 2.060887 -1.107809
C 2.792189 1.120620 0.006623
C 4.894674 2.085122 -0.678234
H -2.275619 -0.523643 1.924421
H -3.201297 -1.646594 0.885783
H -1.349681 0.593734 -0.222084
H -2.384377 -0.476284 -1.181394
H 0.845258 -2.268694 1.634428
H 0.019408 -0.829093 2.303894
H 0.272319 0.324781 0.008213
H 1.148908 -1.098957 -0.581275
H -3.436714 1.498511 0.978086
H -4.452234 0.453084 -0.011809
H 2.990359 -0.754356 1.062260
H 2.077205 0.496400 1.917331
H -2.593981 2.683542 -1.109926
H -3.669886 1.629586 -2.110774
H -4.728801 3.616225 -1.408315
H 5.938429 1.852782 -0.441555
H 4.614931 3.092622 -0.355708
H 4.674205 1.942874 -1.740962


%chk=000190045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190045

0 1
O -5.409259 2.585465 -0.726830
O 4.563126 0.908200 0.232112
O 2.747119 1.669065 -1.011186
O 0.147340 -3.495583 0.169191
N -1.042347 -1.673861 0.731489
N -1.018575 -2.941245 0.173400
C -2.364361 -1.023566 0.769344
C -2.468580 0.241412 -0.113337
C 0.175378 -1.057848 1.302003
C 1.098591 -0.422717 0.234520
C -3.886069 0.850823 -0.039751
C 2.393021 0.111852 0.883442
C -4.031795 2.100002 -0.913679
C 3.202054 0.970152 -0.076669
C 5.453088 1.744628 -0.612100
H -2.611828 -0.764076 1.818750
H -3.086785 -1.786298 0.428168
H -1.724828 0.994917 0.215445
H -2.218515 -0.026756 -1.158497
H 0.727273 -1.861243 1.828261
H -0.146784 -0.301078 2.040870
H 0.581946 0.403700 -0.284245
H 1.347651 -1.185207 -0.524075
H -4.131927 1.126699 1.004505
H -4.640304 0.107687 -0.363122
H 3.030594 -0.705841 1.261440
H 2.144871 0.750584 1.757305
H -3.294331 2.872623 -0.602885
H -3.841185 1.844335 -1.978941
H -5.559557 3.382790 -1.294311
H 6.463483 1.559519 -0.222191
H 5.178187 2.808851 -0.519765
H 5.371111 1.440314 -1.668859


