%chk=000005512.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005512

0 1
O -2.266891 0.583442 2.281753
N 2.633741 -1.016334 0.170356
C 2.046148 -0.272108 1.310577
C 0.513194 -0.453377 1.447593
C -0.268772 0.057461 0.207525
C 2.690756 -2.496296 0.354678
C 3.806431 -0.371566 -0.496934
C -1.707241 -0.477640 0.163435
C -0.232044 1.585639 0.006444
C 3.881614 -3.016341 1.214775
C 2.631920 -3.240560 -1.000852
C 4.906045 0.173261 0.463635
C 3.336283 0.746440 -1.459109
C -2.129959 -1.284981 -0.932500
C -2.672115 -0.200933 1.175572
C -0.292927 2.098099 -1.316382
C -0.151297 2.513087 1.076585
C -3.446593 -1.809791 -1.057358
C -3.995201 -0.701653 1.078221
C -4.380472 -1.498037 -0.034495
C -0.281829 3.487756 -1.568877
C -0.132431 3.905408 0.830607
C -0.199184 4.401263 -0.491943
C -3.832964 -2.691694 -2.233918
H 2.520084 -0.548429 2.285063
H 2.251094 0.803577 1.160782
H 0.170339 0.056120 2.365543
H 0.271957 -1.524293 1.591693
H 0.255988 -0.384141 -0.663508
H 1.761965 -2.757729 0.898509
H 4.275205 -1.160410 -1.116747
H 3.757294 -4.094220 1.431996
H 4.843835 -2.890938 0.684473
H 3.943168 -2.481396 2.180670
H 1.795692 -2.853955 -1.609468
H 2.483283 -4.324632 -0.839447
H 3.566541 -3.118849 -1.579942
H 5.769768 0.539693 -0.122766
H 4.531325 1.022634 1.064083
H 5.266840 -0.605967 1.156512
H 2.629501 0.338531 -2.202758
H 4.195990 1.194358 -1.993193
H 2.817241 1.555356 -0.912966
H -1.395505 -1.508240 -1.717905
H -0.351920 1.395725 -2.157896
H -0.121973 2.148703 2.107639
H -4.726848 -0.470210 1.864873
H -5.407976 -1.875428 -0.099537
H -0.330583 3.856046 -2.600255
H -0.068882 4.604067 1.673387
H -0.185291 5.480884 -0.680712
H -4.910915 -2.612493 -2.461541
H -3.273383 -2.418751 -3.146352
H -3.619034 -3.758619 -2.025884
H -3.040911 0.773863 2.866363


%chk=000005512-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005512

0 1
O -2.302893 0.634628 2.193272
N 2.628199 -1.084854 0.212835
C 2.030367 -0.297459 1.317147
C 0.493793 -0.469663 1.427946
C -0.263099 0.090678 0.194477
C 2.744938 -2.547087 0.485311
C 3.750886 -0.440983 -0.534875
C -1.698144 -0.443513 0.105868
C -0.228249 1.625701 0.050740
C 4.012879 -2.972360 1.284172
C 2.608398 -3.375093 -0.814390
C 4.845100 0.228252 0.350522
C 3.205791 0.573770 -1.569004
C -2.086911 -1.258279 -0.982981
C -2.687249 -0.157047 1.087959
C -0.428650 2.189006 -1.237165
C -0.010852 2.510388 1.136685
C -3.398110 -1.780823 -1.135134
C -4.001376 -0.658192 0.964668
C -4.353510 -1.463051 -0.141763
C -0.418559 3.586260 -1.438747
C 0.006200 3.910379 0.941636
C -0.198266 4.456826 -0.345730
C -3.758759 -2.646034 -2.331375
H 2.486662 -0.549379 2.305905
H 2.247514 0.771216 1.139603
H 0.133567 0.002304 2.359746
H 0.249568 -1.545682 1.520202
H 0.277712 -0.321068 -0.682312
H 1.868803 -2.797242 1.115706
H 4.244612 -1.254147 -1.102249
H 3.948315 -4.039557 1.568830
H 4.930528 -2.841849 0.681071
H 4.118387 -2.379537 2.211739
H 1.669197 -3.114252 -1.333237
H 2.601908 -4.457863 -0.587976
H 3.447914 -3.186240 -1.509426
H 5.687914 0.566114 -0.281735
H 4.450305 1.118193 0.874543
H 5.242846 -0.469223 1.107570
H 2.529969 0.068053 -2.281125
H 4.032814 1.042104 -2.136154
H 2.633119 1.380932 -1.076174
H -1.330931 -1.492862 -1.744649
H -0.598814 1.520018 -2.090582
H 0.128295 2.108759 2.145008
H -4.752139 -0.424789 1.732220
H -5.377313 -1.845889 -0.226309
H -0.576576 3.994585 -2.443794
H 0.176379 4.575165 1.796867
H -0.184979 5.542485 -0.495866
H -4.796413 -3.016236 -2.261987
H -3.667599 -2.083513 -3.280170
H -3.092963 -3.526045 -2.410970
H -3.090427 0.845398 2.753728


