%chk=000271318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271318

0 1
O -5.656166 0.531731 -1.982411
O -5.685475 -0.831079 -0.141322
N 1.033293 -0.379366 0.463100
N 1.477114 -1.173296 1.523143
N 0.497531 -1.779954 2.080270
N -3.028583 -1.262411 0.771377
N -3.690579 0.132135 -1.037508
N -2.474243 -2.654610 2.578310
C 1.919658 0.449632 -0.397924
C 3.097182 -0.363494 -0.911050
C 2.387354 1.718513 0.300327
C -0.360291 -0.505626 0.361686
C -0.698017 -1.424729 1.418500
C -1.334740 0.037269 -0.481744
C 3.166307 -0.656384 -2.281719
C 2.473015 2.890290 -0.470149
C 4.110123 -0.809533 -0.052181
C 2.748164 1.752019 1.652283
C -2.065435 -1.789120 1.599534
C -2.655815 -0.385003 -0.218285
C 4.246852 -1.383763 -2.787332
C 2.911361 4.081717 0.111388
C 5.187649 -1.539610 -0.562492
C 3.182121 2.949393 2.231416
C 5.259218 -1.825581 -1.929069
C 3.264660 4.114549 1.464865
C -5.070852 -0.159287 -0.923696
C -7.116913 0.477900 -2.069955
C -7.734947 1.371309 -1.016728
H 1.275186 0.752005 -1.279135
H -1.089442 0.735221 -1.266676
H 2.380665 -0.323921 -2.957591
H 2.205303 2.875897 -1.525187
H 4.052176 -0.599110 1.017595
H 2.694008 0.850787 2.266340
H 4.298281 -1.609236 -3.851116
H 2.977856 4.986722 -0.490390
H 5.970698 -1.887865 0.109641
H 3.456821 2.969238 3.285424
H 6.099547 -2.393640 -2.324362
H 3.603175 5.044533 1.917956
H -3.413534 0.767414 -1.796618
H -1.805353 -3.074762 3.204094
H -3.450896 -2.894466 2.675470
H -7.265232 0.846731 -3.102129
H -7.433893 -0.576380 -1.976771
H -8.818323 1.466979 -1.155862
H -7.568365 0.969027 -0.004854
H -7.304023 2.380614 -1.036762


%chk=000271318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271318

0 1
O -5.649719 0.696343 -1.885762
O -5.724114 -0.878741 -0.128478
N 1.060185 -0.482901 0.368888
N 1.581908 -1.322971 1.412996
N 0.540186 -1.952269 1.972482
N -2.977194 -1.358000 0.772283
N -3.698615 0.106802 -0.953346
N -2.351991 -2.819236 2.497464
C 1.950291 0.380897 -0.443643
C 3.181051 -0.394867 -0.941306
C 2.301471 1.692916 0.274469
C -0.316557 -0.596329 0.305657
C -0.630241 -1.541169 1.325840
C -1.325395 -0.012981 -0.493747
C 3.157018 -0.970620 -2.234939
C 2.576516 2.839220 -0.512392
C 4.336536 -0.546961 -0.137656
C 2.389694 1.785626 1.684483
C -1.997097 -1.910286 1.534334
C -2.644601 -0.448898 -0.193128
C 4.270186 -1.691747 -2.722069
C 2.934384 4.060971 0.097341
C 5.448668 -1.267859 -0.621783
C 2.744252 3.010243 2.295252
C 5.420335 -1.841971 -1.914601
C 3.018224 4.150535 1.506585
C -5.073292 -0.126263 -0.878273
C -7.135157 0.657243 -1.964272
C -7.764105 1.651263 -0.983124
H 1.350234 0.634860 -1.339385
H -1.124281 0.729735 -1.269817
H 2.263690 -0.860248 -2.863313
H 2.519125 2.773816 -1.606517
H 4.364026 -0.103632 0.862324
H 2.181347 0.904995 2.301350
H 4.240488 -2.132115 -3.724852
H 3.143068 4.940122 -0.522484
H 6.336982 -1.384206 0.008817
H 2.806099 3.072040 3.387506
H 6.286303 -2.399378 -2.288908
H 3.291083 5.098557 1.983261
H -3.438059 0.785604 -1.671641
H -1.639098 -3.251752 3.080559
H -3.337425 -3.049603 2.608944
H -7.348562 0.919866 -3.013196
H -7.471723 -0.374019 -1.756437
H -8.862645 1.660924 -1.112062
H -7.542825 1.362532 0.058171
H -7.386455 2.673315 -1.160174


