%chk=000235056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235056

0 1
O 1.157038 1.759985 1.338263
N 2.597288 -0.330094 -0.064748
N -1.811915 0.085176 0.045923
C 0.494026 0.820677 0.467350
C 1.228188 -0.537961 0.506862
C -0.933361 0.753385 1.049490
C -3.238896 0.514153 0.176355
C -4.129854 -0.326489 -0.769920
C 2.583894 -0.473574 -1.559607
C 3.608506 -1.237798 0.570910
C -5.467410 0.391299 -0.987121
C -4.360582 -1.736327 -0.212376
C 3.804337 0.225457 -2.159733
C 3.954112 -0.728993 1.971233
H 0.491048 1.254636 -0.557914
H 0.636490 -1.309536 -0.025999
H 1.307965 -0.873089 1.564310
H -1.266779 1.801416 1.233169
H -0.927848 0.262918 2.043659
H -3.622604 0.455686 1.216242
H -3.288741 1.586143 -0.120905
H -3.608882 -0.413175 -1.757807
H -1.747504 -0.932115 0.163838
H 1.659536 0.010606 -1.950488
H 2.547401 -1.534073 -1.889158
H 4.528620 -1.229470 -0.056626
H 3.268333 -2.294440 0.618555
H -5.324349 1.377751 -1.442083
H -6.119354 -0.182241 -1.655413
H -6.011356 0.535103 -0.047515
H -3.419928 -2.282942 -0.092312
H -4.993819 -2.326714 -0.884379
H -4.858283 -1.711681 0.762946
H 3.881924 1.259099 -1.795472
H 4.740418 -0.277354 -1.891978
H 3.739668 0.258679 -3.252095
H 4.318665 0.306033 1.934836
H 3.082779 -0.733086 2.637497
H 4.733471 -1.343706 2.432360
H 2.130359 1.715356 1.182652


%chk=000235056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235056

0 1
O 1.406017 1.906897 0.668874
N 2.585978 -0.381072 -0.112001
N -1.879631 0.262653 -0.078917
C 0.507692 0.975003 -0.014224
C 1.113893 -0.450683 0.127209
C -0.886026 1.108146 0.620914
C -3.289528 0.535359 0.276998
C -4.284997 -0.261137 -0.601604
C 2.929447 -0.448576 -1.564163
C 3.369953 -1.334443 0.726576
C -5.735924 0.147966 -0.256865
C -4.099810 -1.790402 -0.446979
C 4.270716 0.230207 -1.898217
C 3.494472 -0.877068 2.191947
H 0.422529 1.235765 -1.092343
H 0.612801 -1.168737 -0.561077
H 0.950764 -0.793139 1.165968
H -1.198564 2.164395 0.525246
H -0.797639 0.896600 1.715281
H -3.517616 0.322495 1.354950
H -3.466716 1.618619 0.125371
H -4.076653 0.009614 -1.656308
H -1.662386 -0.737247 0.031303
H 2.123583 0.066829 -2.118177
H 2.935662 -1.507551 -1.919910
H 4.382553 -1.408724 0.290858
H 2.928210 -2.359412 0.681779
H -5.889358 1.235673 -0.387591
H -6.460887 -0.377519 -0.905410
H -5.978456 -0.104981 0.793778
H -3.107246 -2.126964 -0.800735
H -4.857559 -2.337808 -1.037705
H -4.215955 -2.094481 0.612339
H 4.247759 1.291742 -1.595507
H 5.121754 -0.253734 -1.385660
H 4.464618 0.179541 -2.985607
H 3.994190 0.105871 2.246552
H 2.508687 -0.780159 2.680542
H 4.088163 -1.607697 2.772002
H 2.308111 1.466860 0.553314


