%chk=000201067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201067

0 1
O -2.697920 -0.954255 -1.158751
O -0.807956 0.893102 -1.339510
N -0.093324 0.709041 0.823763
N 1.066238 1.496871 0.662000
C -2.200559 -0.475796 0.091533
C -1.867375 -1.746085 0.891300
C -3.273680 0.378000 0.795176
C -0.746544 -2.575175 0.252391
C -3.710702 1.597168 -0.027364
C -0.961843 0.407732 -0.230059
C -0.532108 -3.893051 0.988601
C -4.756136 2.425168 0.714110
C 2.245827 0.820364 0.150480
C 3.333049 1.647108 -0.202579
C 2.378456 -0.575794 0.112898
C 4.545104 1.064896 -0.569707
C 3.601173 -1.140536 -0.260639
C 4.685810 -0.328138 -0.599031
H -1.626325 -1.497409 1.939696
H -2.789934 -2.368280 0.932063
H -2.911516 0.700700 1.789182
H -4.159394 -0.264227 0.984651
H 0.207230 -1.998987 0.230978
H -1.005279 -2.768548 -0.811975
H -4.121748 1.258226 -1.000647
H -2.835819 2.232485 -0.273786
H -2.575052 -0.275154 -1.874065
H 0.270731 -4.477629 0.523238
H -1.434352 -4.516733 0.972023
H -0.259043 -3.738117 2.038085
H -4.371120 2.811015 1.664822
H -5.069809 3.288715 0.115153
H -5.655944 1.839600 0.935775
H -0.132568 0.242159 1.731818
H 0.834563 2.333464 0.086188
H 3.234077 2.730291 -0.180615
H 1.534904 -1.231097 0.355223
H 5.388549 1.700640 -0.838786
H 3.704166 -2.225069 -0.290335
H 5.634374 -0.773765 -0.888498


%chk=000201067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201067

0 1
O -3.054986 -0.904698 -1.184397
O -0.811649 0.383790 -1.782644
N -0.195974 0.820484 0.414917
N 0.941432 1.568015 0.062593
C -2.271806 -0.512088 -0.010348
C -1.820210 -1.797654 0.746440
C -3.174798 0.379157 0.889286
C -0.957395 -2.760179 -0.096943
C -3.653814 1.682725 0.216246
C -1.031827 0.263687 -0.536956
C -0.596998 -4.046289 0.676683
C -4.624146 2.480975 1.112333
C 2.212100 0.922647 0.007903
C 3.289107 1.610974 -0.612642
C 2.441087 -0.341013 0.609647
C 4.575013 1.035229 -0.632315
C 3.735982 -0.904044 0.584805
C 4.810942 -0.225205 -0.032278
H -1.278185 -1.514903 1.674181
H -2.743722 -2.320943 1.063318
H -2.654009 0.607897 1.844067
H -4.056425 -0.236075 1.155316
H -0.027896 -2.253008 -0.424412
H -1.517968 -3.017785 -1.014509
H -4.147394 1.417064 -0.736492
H -2.783348 2.319941 -0.042442
H -2.522645 -0.633061 -1.988003
H 0.006543 -4.730885 0.053513
H -1.508530 -4.589836 0.989401
H -0.012888 -3.819086 1.589444
H -4.144403 2.775411 2.065458
H -4.966166 3.403445 0.608894
H -5.519737 1.880297 1.359125
H -0.457186 0.831429 1.402592
H 0.749987 2.247623 -0.680876
H 3.116942 2.590229 -1.076356
H 1.614168 -0.882372 1.080423
H 5.396130 1.573312 -1.119255
H 3.901259 -1.883396 1.048364
H 5.811614 -0.668910 -0.049282


