%chk=000281227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281227

0 1
P 3.041546 0.285241 0.496672
O 3.793168 -1.154722 0.234225
O 3.067116 0.986321 -1.016372
O 3.675661 1.035773 1.593876
N -5.314865 0.465266 -0.339528
N 0.699556 -1.905333 2.281533
C -1.073096 0.568340 -0.194315
C -3.904953 0.419278 -0.312812
C 1.226965 -0.051329 0.585903
C 0.382994 0.660718 -0.181795
C -1.765001 0.856700 -1.390315
C -1.826316 0.224121 0.944733
C -3.146777 0.772410 -1.461617
C -3.211462 0.148064 0.894284
C 3.273538 -1.996188 -0.837599
C 4.270689 1.717939 -1.371176
C -5.990606 0.367045 -1.659906
C -6.054805 -0.251122 0.732567
C 4.421002 -2.944402 -1.133478
C 4.346582 3.049685 -0.649644
C 0.924855 -1.060125 1.520933
H 0.789175 1.390971 -0.909399
H -1.202163 1.138625 -2.282500
H -1.318675 0.026155 1.892468
H -3.646734 0.994050 -2.401625
H -3.759182 -0.113578 1.797722
H 2.387372 -2.530363 -0.441115
H 2.999919 -1.386076 -1.719111
H 5.162383 1.086909 -1.195143
H 4.121912 1.845040 -2.463403
H -7.066271 0.580781 -1.541953
H -5.881176 -0.621722 -2.133905
H -5.586526 1.132891 -2.346228
H -5.952416 -1.347022 0.676951
H -7.126266 0.003975 0.678197
H -5.696717 0.083993 1.723222
H 4.798248 -3.392963 -0.200657
H 4.114581 -3.756469 -1.800721
H 5.270892 -2.420844 -1.588495
H 5.134583 3.685583 -1.068073
H 3.400411 3.601270 -0.715203
H 4.565658 2.929815 0.427401


%chk=000281227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281227

0 1
P 3.203640 0.283359 0.416992
O 4.021671 -1.237181 0.222422
O 3.151943 0.987860 -1.181811
O 3.960405 1.166243 1.501129
N -5.272508 0.298638 -0.415437
N 0.929212 -1.767037 2.640141
C -0.997105 0.367464 -0.179651
C -3.885007 0.322981 -0.343158
C 1.396897 -0.124742 0.647633
C 0.451224 0.460080 -0.181972
C -1.705315 1.071220 -1.205303
C -1.785585 -0.361712 0.766849
C -3.100254 1.056592 -1.296103
C -3.180712 -0.384023 0.691331
C 3.533097 -2.214802 -0.792226
C 4.200302 2.000473 -1.516640
C -5.971229 1.036203 -1.480089
C -6.055796 -0.446698 0.583952
C 4.414300 -3.451948 -0.641767
C 3.739695 3.410048 -1.138493
C 1.123916 -1.008439 1.730536
H 0.873839 1.091026 -0.976559
H -1.131726 1.642452 -1.946106
H -1.299687 -0.913617 1.575587
H -3.585690 1.614655 -2.100826
H -3.734785 -0.952387 1.442725
H 2.467989 -2.450771 -0.596938
H 3.620925 -1.762448 -1.798693
H 5.143792 1.741940 -1.000186
H 4.335976 1.882676 -2.605133
H -7.056601 0.884633 -1.378346
H -5.670084 0.681746 -2.485501
H -5.771090 2.124746 -1.423555
H -5.804083 -1.525312 0.577826
H -7.127851 -0.347608 0.355289
H -5.887536 -0.058787 1.607960
H 4.321774 -3.869218 0.374929
H 4.109016 -4.225427 -1.371145
H 5.472985 -3.197759 -0.818957
H 4.491655 4.152597 -1.466932
H 2.778652 3.653840 -1.624719
H 3.624535 3.493144 -0.044456


