%chk=000118617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118617

0 1
O 1.938815 -0.363785 -0.031233
O -1.401329 3.087704 -0.733093
O -2.493526 -2.639936 0.596149
O -3.766332 2.468813 -0.574627
O 10.455678 0.162786 -0.115005
N 0.076360 -2.201027 0.139240
C 5.591019 0.376663 -0.164992
C 4.272113 -0.388410 -0.011813
C 6.795718 -0.556756 0.017265
C -1.690715 -0.487743 0.015754
C 3.079892 0.545368 -0.198202
C -2.044261 0.874000 -0.258464
C 8.112501 0.209603 -0.132521
C -0.348121 -0.881162 0.038189
C 0.678052 0.147855 -0.154316
C -4.177401 -1.040097 0.222403
C -4.513010 0.287894 -0.076633
C -2.754666 -1.480372 0.296970
C -3.454187 1.320430 -0.327830
C -1.029672 1.802911 -0.468674
C 0.354049 1.455686 -0.405811
C 9.319011 -0.713597 0.043693
C -5.190635 -1.981368 0.454347
C -5.858670 0.669825 -0.143403
C -6.533022 -1.596189 0.386685
C -6.866791 -0.271786 0.087842
H 5.639147 0.857971 -1.162153
H 5.641839 1.201177 0.573710
H 4.215151 -0.874697 0.983522
H 4.213318 -1.218488 -0.746312
H 6.750064 -1.040790 1.012831
H 6.749631 -1.379629 -0.723330
H 3.028465 0.984295 -1.208730
H 3.015495 1.327499 0.576426
H 8.178132 1.036374 0.604098
H 8.175232 0.703571 -1.123666
H 1.102224 2.224995 -0.556715
H 9.364326 -1.500866 -0.728712
H 9.358578 -1.169405 1.048330
H -4.915631 -3.014437 0.687297
H -6.105777 1.710149 -0.377855
H 1.034082 -2.369313 0.411252
H -0.601567 -2.900744 0.455355
H -7.317880 -2.330187 0.567039
H -7.912876 0.029470 0.034474
H -0.621657 3.684503 -0.874513
H 11.284535 -0.342355 -0.028969


%chk=000118617-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118617

0 1
O 1.914591 -0.555348 0.051407
O -1.237093 3.139963 -0.657902
O -2.623490 -2.733999 0.497287
O -3.817809 2.573377 -0.536194
O 10.603593 0.393275 -0.277516
N -0.083880 -2.263581 0.394234
C 5.626382 0.306957 -0.195518
C 4.339436 -0.517506 0.038304
C 6.912144 -0.520510 0.027387
C -1.784783 -0.503094 0.056287
C 3.081216 0.331308 -0.145889
C -2.084120 0.892988 -0.215530
C 8.195040 0.299780 -0.231410
C -0.426669 -0.960812 0.139959
C 0.636618 -0.003254 -0.053482
C -4.272199 -1.022035 0.169138
C -4.573765 0.341623 -0.093914
C -2.863979 -1.484639 0.253661
C -3.493543 1.363236 -0.300057
C -0.998063 1.788472 -0.396469
C 0.353047 1.335251 -0.316005
C 9.473545 -0.509592 0.000601
C -5.323922 -1.956569 0.355823
C -5.927482 0.756597 -0.165712
C -6.664673 -1.536314 0.282181
C -6.967458 -0.173741 0.020823
H 5.628129 0.710306 -1.229331
H 5.638285 1.184546 0.483957
H 4.341797 -0.941387 1.060832
H 4.304399 -1.370023 -0.666947
H 6.919311 -0.908890 1.067188
H 6.895001 -1.408222 -0.638914
H 3.034883 0.765454 -1.166116
H 3.040712 1.153409 0.598316
H 8.219110 1.187619 0.430223
H 8.202307 0.675723 -1.272995
H 1.165437 2.056158 -0.462272
H 9.496149 -1.391690 -0.676954
H 9.508438 -0.875068 1.050755
H -5.056989 -2.998587 0.556233
H -6.127498 1.813239 -0.369150
H 0.901720 -2.514345 0.440635
H -0.870195 -2.921687 0.525641
H -7.475206 -2.258978 0.426754
H -8.011703 0.152849 -0.035570
H -0.377331 3.625994 -0.754624
H 11.456260 -0.091851 -0.143854


