%chk=000201512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201512

0 1
O -3.696559 -1.968246 0.986179
O 4.247119 -0.086774 -0.065923
N -2.120789 -0.296586 0.885536
C -1.402156 0.554438 -0.106177
C -1.944895 0.037202 -1.485394
C -1.798725 2.035737 0.122047
C -2.967275 -1.068436 -1.186298
C 0.104940 0.339915 -0.042254
C -3.018244 -1.209167 0.325241
C -1.313628 2.597031 1.453992
C 0.963287 1.280537 -0.647632
C 0.660689 -0.794177 0.560364
C 2.340182 1.106590 -0.637120
C 2.045438 -0.995438 0.589379
C 2.872632 -0.039738 -0.008666
C 4.911726 -1.219770 0.543979
H -1.116783 -0.350614 -2.105374
H -2.401479 0.853825 -2.067396
H -2.902823 2.127007 0.062686
H -1.401697 2.651941 -0.708961
H -2.686075 -2.033695 -1.647235
H -3.973140 -0.827979 -1.577276
H -1.997735 -0.158141 1.877775
H -1.827230 2.135479 2.304994
H -0.236314 2.439169 1.595595
H -1.496784 3.676488 1.515298
H 0.543608 2.163219 -1.133883
H 0.017452 -1.549831 1.017011
H 3.013219 1.825706 -1.097893
H 2.450388 -1.880841 1.067191
H 4.708266 -1.246923 1.618221
H 5.967857 -0.990894 0.349387
H 4.614028 -2.147633 0.047408


%chk=000201512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201512

0 1
O -3.860163 -1.805982 1.165170
O 4.430270 -0.023884 0.020735
N -2.010168 -0.368662 0.885001
C -1.341495 0.481732 -0.134476
C -1.884332 -0.182267 -1.462768
C -1.859961 1.950538 -0.021230
C -3.225587 -0.849811 -1.071972
C 0.190579 0.361156 -0.034968
C -3.107449 -1.096399 0.443112
C -1.588820 2.630679 1.337169
C 1.062481 1.395912 -0.470228
C 0.780369 -0.840613 0.427580
C 2.459965 1.238027 -0.440959
C 2.181033 -1.018401 0.468183
C 3.028135 0.028920 0.030232
C 5.063386 -1.258695 0.490390
H -1.164443 -0.946175 -1.802674
H -1.984155 0.569907 -2.263448
H -2.951614 1.929229 -0.208155
H -1.420841 2.552404 -0.839994
H -3.418761 -1.800717 -1.594201
H -4.098693 -0.194625 -1.249613
H -1.779729 -0.312801 1.878288
H -2.098604 2.097405 2.160840
H -0.508964 2.665777 1.566770
H -1.968924 3.668131 1.335081
H 0.656509 2.342460 -0.841429
H 0.130542 -1.657079 0.762132
H 3.129740 2.035999 -0.775817
H 2.591469 -1.963194 0.837162
H 4.811986 -1.463396 1.549387
H 6.144509 -1.081434 0.394068
H 4.770228 -2.124737 -0.134566


