%chk=000235299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235299

0 1
O -1.810218 0.505701 2.045169
O 3.520698 1.135237 2.630623
O 5.260018 -0.564011 -1.298520
N 0.723098 0.513223 1.453009
N 0.510062 -0.433636 -0.626056
N 2.967077 -0.568427 -1.116931
N 4.390340 0.295785 0.668872
C -1.659111 0.106741 0.654892
C -0.150318 0.044015 0.485170
C 2.019116 0.332380 0.951413
C -2.363540 -1.224199 0.454134
C -2.202149 1.223374 -0.226559
C 1.857573 -0.251800 -0.338008
C 3.300100 0.645807 1.542524
C 4.282654 -0.291784 -0.627238
C -3.735509 -1.232586 0.154131
C -2.732373 2.385153 0.346275
C -1.683394 -2.438615 0.614780
C -2.157732 1.081450 -1.621468
C 2.790841 -1.157707 -2.466161
C 5.775784 0.586842 1.132550
C -4.416207 -2.443584 0.014839
C -3.229763 3.400746 -0.475888
C -2.368418 -3.649803 0.472484
C -2.655708 2.099386 -2.437477
C -3.733424 -3.654684 0.173501
C -3.193748 3.258288 -1.866201
H 0.487826 0.913866 2.350547
H -4.272819 -0.291607 0.019400
H -2.748508 2.495259 1.432521
H -0.615777 -2.451712 0.840442
H -1.723899 0.180613 -2.063695
H -2.509148 -0.022441 2.488234
H 3.777100 -1.398737 -2.907707
H 2.266410 -0.446971 -3.129375
H 2.189978 -2.082388 -2.401750
H 5.785642 0.709275 2.232009
H 6.147871 1.517249 0.670988
H 6.457043 -0.237216 0.854792
H -5.479426 -2.444395 -0.221752
H -3.641547 4.304858 -0.030609
H -1.832383 -4.590655 0.592490
H -2.620815 1.991434 -3.520457
H -4.264939 -4.599048 0.061623
H -3.580358 4.050621 -2.505360


%chk=000235299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235299

0 1
O -1.794336 0.547941 2.071125
O 3.508436 0.746528 2.843825
O 5.290648 -0.395055 -1.377501
N 0.726081 0.366371 1.492009
N 0.522991 -0.233284 -0.691807
N 2.952675 -0.348380 -1.176534
N 4.379638 0.167986 0.708390
C -1.645825 0.142948 0.639985
C -0.138725 0.075884 0.458329
C 2.025665 0.244762 0.998210
C -2.324892 -1.229635 0.460181
C -2.218511 1.235992 -0.291408
C 1.863815 -0.126909 -0.347394
C 3.303442 0.420059 1.635155
C 4.265467 -0.204055 -0.663048
C -3.706390 -1.298394 0.142968
C -2.665425 2.468910 0.236193
C -1.621813 -2.429540 0.734712
C -2.262021 1.018656 -1.692122
C 2.756494 -0.724061 -2.589532
C 5.765621 0.306238 1.211986
C -4.370489 -2.544128 0.101750
C -3.171706 3.470434 -0.625048
C -2.284128 -3.674542 0.687726
C -2.765845 2.019397 -2.549096
C -3.661697 -3.736522 0.373580
C -3.226455 3.248532 -2.019006
H 0.429154 0.623477 2.434636
H -4.256833 -0.379597 -0.087919
H -2.604801 2.640401 1.315066
H -0.554380 -2.391866 0.976773
H -1.889206 0.075578 -2.104818
H -2.670411 0.218719 2.393233
H 3.751376 -0.844022 -3.042139
H 2.190718 0.063592 -3.114968
H 2.190842 -1.668664 -2.655544
H 5.700485 0.590510 2.272460
H 6.302651 1.077683 0.636340
H 6.306474 -0.647474 1.098685
H -5.436469 -2.583746 -0.147742
H -3.517416 4.422240 -0.206185
H -1.728007 -4.595352 0.894943
H -2.796391 1.842630 -3.630039
H -4.175008 -4.703674 0.336155
H -3.617490 4.024728 -2.686361


