%chk=000236128.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236128

0 1
O 2.900868 2.512788 0.134481
O -0.407720 -0.753453 2.261699
O -4.050293 0.105595 -0.365560
N 1.440722 -0.150581 0.151102
N -2.201021 -0.318462 0.964012
N -1.983895 0.159038 -1.371080
C 2.249711 0.431551 -0.961794
C 2.032747 -1.404659 0.713832
C 0.027939 -0.209772 -0.075393
C 2.121410 1.966011 -0.931922
C 1.997943 -2.607142 -0.225740
C -0.784583 -0.449494 1.151435
C -0.586526 0.045362 -1.266162
C -2.845678 -0.008870 -0.257569
H 1.990908 0.030715 -1.963341
H 3.322283 0.170371 -0.793768
H 3.079112 -1.168744 1.011716
H 1.492230 -1.637231 1.666018
H 1.074529 2.301313 -0.820537
H 2.571281 2.426784 -1.831701
H 0.974304 -2.853684 -0.532341
H 2.585542 -2.443130 -1.134822
H 2.407072 -3.497741 0.268308
H -0.031386 0.190142 -2.199640
H -2.806556 -0.450104 1.789220
H -2.409061 0.375707 -2.273908
H 2.597316 2.136088 0.993653


%chk=000236128-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236128

0 1
O 2.602513 2.396118 0.351018
O -0.339226 -0.658117 2.293342
O -4.144671 0.140089 -0.295943
N 1.442643 -0.225208 0.020090
N -2.187859 -0.324898 0.931369
N -2.031452 0.287127 -1.310958
C 2.250133 0.400656 -1.054777
C 2.076267 -1.395364 0.704341
C 0.031276 -0.185736 -0.090386
C 2.168590 1.940545 -0.968568
C 2.122309 -2.670529 -0.167947
C -0.785140 -0.410911 1.133853
C -0.640307 0.152766 -1.256278
C -2.889626 0.038065 -0.233366
H 1.986157 0.042508 -2.076539
H 3.298674 0.106441 -0.874706
H 3.100204 -1.089374 0.986902
H 1.520953 -1.581889 1.636462
H 1.141908 2.302367 -1.188335
H 2.862510 2.395110 -1.695668
H 1.103616 -3.001163 -0.440932
H 2.697092 -2.512727 -1.099603
H 2.606038 -3.491976 0.391911
H -0.120692 0.342184 -2.196371
H -2.764824 -0.486605 1.763363
H -2.490055 0.575188 -2.176575
H 2.142166 1.813732 1.014498


