%chk=000196096.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196096

0 1
I -4.266755 3.300202 0.590621
O -4.586378 -0.218370 -1.152456
O -2.478415 1.383674 -0.930352
O 2.206706 -0.774986 -2.850579
O 3.990357 0.430296 -1.543101
N -1.811700 -2.243717 0.198558
C -3.038448 -1.399279 0.267265
C -1.015513 -2.198862 1.463330
C -3.311051 -0.856627 -1.155319
C 0.338545 -2.903431 1.254274
C 1.327512 -2.009505 0.555057
C -2.231186 0.131619 -1.631647
C 1.247107 -1.853348 -0.848290
C 2.308352 -1.334942 1.275685
C 2.156148 -1.034543 -1.500154
C 3.233521 -0.495674 0.623642
C 3.167607 -0.342662 -0.753512
C -1.724853 1.689757 0.178129
C -2.321716 2.638134 1.025160
C -0.451199 1.173573 0.460000
C -1.628624 3.106573 2.137782
C 0.228728 1.644000 1.582261
C 1.287942 -1.508087 -3.697355
C -0.351369 2.607742 2.417888
C 5.036990 1.172482 -0.871856
H -3.939298 -1.943619 0.622127
H -2.906497 -0.546342 0.968202
H -0.840335 -1.131916 1.736528
H -1.547013 -2.663678 2.321582
H -3.438205 -1.686180 -1.887977
H 0.733669 -3.224139 2.239729
H 0.204817 -3.842051 0.677484
H -2.071883 -3.213004 -0.012283
H -1.206445 -0.248200 -1.471280
H -2.379687 0.433316 -2.684850
H 0.456555 -2.370438 -1.388037
H 2.378256 -1.449548 2.354723
H 3.992454 0.013536 1.210100
H -4.520360 0.693831 -0.749023
H -0.001704 0.418031 -0.189833
H -2.078769 3.854541 2.793793
H 1.224509 1.253409 1.804914
H 1.468876 -2.583638 -3.617271
H 0.254149 -1.248923 -3.455015
H 1.564890 -1.135566 -4.692834
H 0.191179 2.971441 3.287139
H 5.520268 1.679947 -1.717679
H 5.732815 0.490413 -0.375941
H 4.606152 1.897659 -0.176324


%chk=000196096-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196096

0 1
I -4.132355 4.133486 0.222835
O -5.144616 -0.798097 -0.530198
O -3.200624 1.243881 -0.682837
O 2.358719 -0.274202 -2.638797
O 4.348594 0.530986 -1.090257
N -1.713624 -2.213956 0.176661
C -3.044968 -1.631523 0.478003
C -0.923993 -2.555394 1.388112
C -3.747581 -1.152743 -0.811955
C 0.454600 -3.174967 1.036374
C 1.488423 -2.195252 0.498421
C -3.038117 0.021611 -1.507153
C 1.412349 -1.707349 -0.835418
C 2.550105 -1.750099 1.314313
C 2.366160 -0.799999 -1.341372
C 3.517321 -0.838401 0.822108
C 3.441281 -0.358331 -0.502529
C -2.117856 1.777060 0.033110
C -2.282235 3.089912 0.549406
C -0.902425 1.086517 0.270877
C -1.245977 3.709223 1.276804
C 0.137366 1.714519 0.990452
C 1.259495 -0.673349 -3.516661
C -0.026486 3.023802 1.492811
C 5.464494 0.987090 -0.260410
H -3.733081 -2.341785 0.991127
H -2.900228 -0.772084 1.160326
H -0.774816 -1.625714 1.970057
H -1.473530 -3.269078 2.050363
H -3.811986 -1.993002 -1.531886
H 0.849772 -3.645484 1.956571
H 0.291527 -4.001508 0.313041
H -1.812767 -3.046452 -0.426376
H -1.975049 -0.203136 -1.698932
H -3.556659 0.260160 -2.451303
H 0.584004 -2.039958 -1.467172
H 2.635981 -2.118124 2.343438
H 4.333932 -0.518976 1.476540
H -5.144680 0.119723 -0.148152
H -0.774570 0.053486 -0.074019
H -1.387127 4.722082 1.665786
H 1.071156 1.165765 1.155360
H 1.262588 -1.766022 -3.700674
H 0.278588 -0.370740 -3.097782
H 1.439894 -0.137392 -4.459861
H 0.777868 3.514216 2.050247
H 6.041884 1.662565 -0.908281
H 6.102718 0.140250 0.060803
H 5.107233 1.539684 0.631085


