%chk=000018990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000018990

0 1
O -2.911016 -2.319163 -0.245735
O -2.935013 2.289030 0.225608
O 1.158484 -3.102772 1.600241
O 1.137647 3.112381 -1.597062
O 2.538210 -2.858650 -0.042289
O 2.509214 2.882474 0.054327
N 3.183846 0.015044 0.007978
N -2.505353 -0.013027 -0.008765
N 1.633283 -2.464814 0.675722
N 1.612821 2.479469 -0.669282
C 1.812265 0.008315 0.003901
C -1.070470 -0.005937 -0.004613
C 1.041288 -1.143004 0.395552
C 1.032271 1.151892 -0.392421
C -0.356370 -1.126910 0.442787
C -0.364878 1.122009 -0.447896
C -3.328086 -1.200520 -0.140726
C -3.340469 1.166346 0.118283
C 3.986089 0.831645 -0.929691
C 3.988419 -0.793333 0.950779
C -4.751993 -0.688047 -0.091915
C -4.758964 0.639912 0.061229
H -0.895051 -2.022867 0.798087
H -0.910246 2.012577 -0.806473
H 3.443505 1.030254 -1.869684
H 4.281985 1.800447 -0.472100
H 4.907692 0.288041 -1.208847
H 3.442086 -0.997244 1.887422
H 4.902881 -0.240577 1.235415
H 4.296784 -1.759186 0.495151
H -5.577270 -1.382158 -0.174646
H -5.591490 1.325872 0.139162


%chk=000018990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018990

0 1
O -2.934693 -2.322776 -0.499028
O -2.961075 2.292447 0.478207
O 1.074595 -3.217196 1.556481
O 1.052249 3.227264 -1.551590
O 2.654674 -2.826253 -0.041326
O 2.627319 2.850613 0.054573
N 3.209430 0.015249 0.008121
N -2.517292 -0.012930 -0.009337
N 1.643254 -2.457675 0.676768
N 1.623399 2.472738 -0.669195
C 1.825674 0.008438 0.004155
C -1.087097 -0.005780 -0.004698
C 1.039450 -1.127839 0.421896
C 1.030933 1.137075 -0.418176
C -0.366615 -1.118441 0.477344
C -0.374606 1.113966 -0.482203
C -3.342644 -1.164674 -0.253396
C -3.355754 1.130505 0.229044
C 4.004901 0.706811 -1.020019
C 4.005855 -0.668602 1.040666
C -4.765674 -0.689771 -0.155094
C -4.773262 0.640803 0.123940
H -0.877772 -2.016782 0.828331
H -0.892380 2.007300 -0.836267
H 3.386804 0.934815 -1.903156
H 4.438928 1.650617 -0.640765
H 4.818055 0.028954 -1.338936
H 3.385255 -0.902070 1.920620
H 4.810965 0.016883 1.363662
H 4.450642 -1.608444 0.664029
H -5.603037 -1.371764 -0.301375
H -5.618378 1.314019 0.266223


