%chk=000217696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217696

0 1
O 1.032068 0.111736 -2.395435
O 2.116839 2.360617 1.485973
N 1.347692 1.444499 -0.511273
N -4.262877 0.393617 -0.011863
C 2.909464 -0.322429 -0.858619
C 3.278839 0.441821 0.462800
C 2.635692 -1.780336 -0.359430
C 3.171127 -0.671556 1.557588
C 1.961041 -1.509858 1.026501
C 3.999272 -2.298973 0.113569
C 4.315658 -1.643786 1.246387
C 1.659242 0.362895 -1.398810
C 2.224112 1.530839 0.620112
C 0.132225 2.289734 -0.657138
C -5.500584 -0.200939 0.597679
C -3.894419 -0.539251 -1.128491
C -5.494285 -1.721095 0.321720
C -4.459094 -1.938743 -0.797162
C -1.027349 1.662557 -0.066600
C -3.168364 0.528218 1.012202
C -1.999941 1.143354 0.423660
H 3.715720 -0.296433 -1.616985
H 4.290205 0.891777 0.437976
H 2.087799 -2.408933 -1.067146
H 3.107199 -0.297398 2.583395
H 1.013094 -0.962313 0.974775
H 1.776459 -2.422809 1.606328
H 4.544472 -3.046927 -0.425543
H 5.184862 -1.720724 1.867624
H -0.041635 2.470972 -1.751034
H 0.333170 3.280139 -0.168656
H -6.359972 0.287195 0.087939
H -5.594910 0.030244 1.672558
H -2.805183 -0.559081 -1.316187
H -4.367968 -0.128485 -2.046343
H -6.493988 -2.072509 0.019980
H -5.224953 -2.289238 1.226649
H -3.658788 -2.622016 -0.469808
H -4.916692 -2.400519 -1.686710
H -3.557578 1.186965 1.831117
H -2.885471 -0.444530 1.485104


%chk=000217696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217696

0 1
O 1.140909 0.184636 -2.438611
O 2.143966 2.328079 1.608360
N 1.387626 1.410334 -0.433739
N -4.402467 0.426901 -0.102448
C 3.022896 -0.276908 -0.850882
C 3.355398 0.436295 0.500321
C 2.763169 -1.782821 -0.409449
C 3.243779 -0.740405 1.565277
C 2.057605 -1.560514 0.966178
C 4.129079 -2.301488 0.064056
C 4.415987 -1.678831 1.245014
C 1.763343 0.417479 -1.375271
C 2.270878 1.502326 0.673318
C 0.176003 2.247072 -0.574140
C -5.673343 -0.109987 0.470838
C -4.087735 -0.541206 -1.196422
C -5.552594 -1.674213 0.452363
C -4.511456 -1.963306 -0.680611
C -1.039354 1.614188 -0.030188
C -3.322618 0.523583 0.929072
C -2.085006 1.121798 0.398559
H 3.817696 -0.218423 -1.611320
H 4.347775 0.912660 0.539499
H 2.236862 -2.376588 -1.169790
H 3.154108 -0.385141 2.601336
H 1.106206 -1.002432 0.903635
H 1.892956 -2.506732 1.505899
H 4.770369 -2.976964 -0.507929
H 5.338026 -1.744829 1.828158
H 0.038815 2.449486 -1.652294
H 0.380958 3.199293 -0.050945
H -6.503438 0.207784 -0.187874
H -5.860703 0.307594 1.475233
H -3.024620 -0.469545 -1.479420
H -4.691376 -0.265197 -2.081017
H -6.528691 -2.150661 0.254432
H -5.192475 -2.054608 1.425195
H -3.642134 -2.519758 -0.287342
H -4.945367 -2.568107 -1.495925
H -3.706437 1.161514 1.748106
H -3.062396 -0.464062 1.389174


