%chk=000218412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218412

0 1
O -2.956219 0.837638 -1.571110
N 0.831090 -0.581369 0.619074
N 3.658222 -0.028885 0.466836
N -2.887737 -0.788791 0.021319
N 5.818364 -0.361903 1.401477
N -7.174423 0.928577 -1.307582
N -9.038169 1.141171 0.105049
C 1.649769 -0.422039 1.866001
C 1.387599 0.300080 -0.459986
C 3.104164 -0.850086 1.585925
C 2.832538 -0.134789 -0.773237
C -0.611104 -0.267997 0.875505
C 5.054597 0.080318 0.336832
C -1.442106 -1.035551 -0.178075
C 5.645890 0.714359 -0.788747
C 7.025694 0.919874 -0.804664
C 7.155006 -0.141064 1.356747
C 7.801475 0.486578 0.286880
C -3.547776 0.205545 -0.707649
C 7.684979 1.593070 -1.963012
C -4.986921 0.397216 -0.397561
C -5.522660 0.327925 0.897440
C -5.853237 0.721519 -1.468320
C -6.878415 0.545549 1.104269
C -7.689677 0.851143 -0.022668
H 1.227485 -1.085822 2.650895
H 1.634276 0.616134 2.264140
H 1.366900 1.379524 -0.191583
H 0.762051 0.180122 -1.372349
H 3.720702 -0.692595 2.502391
H 3.149659 -1.934906 1.343342
H 2.839058 -1.177690 -1.165013
H 3.253048 0.524190 -1.565760
H -0.892508 -0.607089 1.894300
H -0.846423 0.817586 0.829394
H -1.151540 -0.710291 -1.207417
H -1.237852 -2.126394 -0.114014
H 5.026455 1.052160 -1.613444
H -3.358278 -1.343590 0.723088
H 7.718117 -0.500784 2.227058
H 8.874303 0.633727 0.298938
H 8.472981 0.960048 -2.396512
H 6.985178 1.838924 -2.772061
H 8.162594 2.534112 -1.651380
H -4.875730 0.113757 1.750259
H -5.462940 0.813194 -2.495151
H -7.304964 0.504587 2.100077
H -9.527770 0.915029 0.951309
H -9.597643 1.266278 -0.726953


%chk=000218412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218412

0 1
O -2.764500 0.661431 -1.504186
N 0.863819 -0.828030 0.668501
N 3.696594 -0.430418 0.309331
N -2.902461 -0.952554 0.160437
N 5.689781 0.027298 1.473553
N -6.876882 1.556155 -1.219338
N -8.874408 1.622401 -0.016030
C 1.761226 -0.671291 1.842266
C 1.380521 -0.035136 -0.474884
C 3.181624 -1.148803 1.492995
C 2.803384 -0.493429 -0.858170
C -0.559167 -0.546236 0.963281
C 4.995838 0.078905 0.285328
C -1.491553 -1.340234 0.012180
C 5.593805 0.635044 -0.895027
C 6.899102 1.161945 -0.842691
C 6.951046 0.536358 1.504245
C 7.599119 1.114911 0.396301
C -3.451367 0.068327 -0.608165
C 7.548206 1.764744 -2.074697
C -4.884092 0.416801 -0.345764
C -5.604573 0.077640 0.834357
C -5.580923 1.169637 -1.327492
C -6.943951 0.466863 0.981176
C -7.559195 1.205520 -0.077614
H 1.368831 -1.286566 2.673332
H 1.808608 0.391968 2.188413
H 1.407140 1.056323 -0.227166
H 0.712636 -0.162665 -1.345095
H 3.882548 -0.970459 2.322548
H 3.146895 -2.238341 1.277091
H 2.753969 -1.533877 -1.245646
H 3.173079 0.157760 -1.664929
H -0.764845 -0.845728 2.008844
H -0.805867 0.539010 0.875932
H -1.207156 -1.141105 -1.034890
H -1.380300 -2.422108 0.201614
H 5.058356 0.651308 -1.848324
H -3.489839 -1.468250 0.814862
H 7.457896 0.469701 2.474923
H 8.616442 1.508333 0.487749
H 8.512548 1.271416 -2.297620
H 6.902569 1.670913 -2.964649
H 7.761557 2.839513 -1.921665
H -5.122395 -0.459287 1.660336
H -5.051936 1.469903 -2.237959
H -7.504130 0.223879 1.890010
H -9.469407 1.414853 0.780273
H -9.240089 2.153958 -0.803583


