%chk=000213005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213005

0 1
O -0.978170 -2.372060 -0.459732
O -2.027785 1.014134 -0.371610
O 1.502993 -0.230873 -1.108480
O -2.363157 1.466250 1.857921
O 1.177368 1.994667 -0.602280
N -1.430788 3.047949 0.406732
N 3.263008 0.988994 -0.408754
C -0.677598 -0.991889 -0.161122
C 0.070943 -0.765838 1.157313
C -2.123631 -0.414609 -0.153627
C 0.078870 -0.401960 -1.380793
C -0.694510 -1.234910 2.388785
C -0.029595 -3.409778 -0.136323
C 1.185712 -3.397412 -1.046699
C -1.950015 1.812284 0.771641
C 1.909167 1.028518 -0.707317
H 1.060743 -1.264025 1.105496
H 0.293738 0.318333 1.259392
H -2.666841 -0.638723 0.781532
H -2.709858 -0.764003 -1.023300
H -0.350166 0.569230 -1.703812
H 0.091567 -1.118390 -2.223873
H -1.504758 -0.530748 2.646043
H -1.151789 -2.220048 2.241188
H -0.038530 -1.296071 3.263766
H 0.247110 -3.346712 0.929807
H -0.664349 -4.304323 -0.303384
H 1.834725 -4.258666 -0.853655
H 0.893544 -3.433250 -2.103573
H 1.789275 -2.488526 -0.911200
H -0.847360 3.098141 -0.427351
H -1.158704 3.675037 1.153441
H 3.816290 0.177865 -0.639651
H 3.758949 1.859713 -0.280321


%chk=000213005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213005

0 1
O -0.988034 -2.429672 -0.376554
O -1.968353 1.095016 -0.384462
O 1.597408 -0.224305 -1.112119
O -2.845426 1.558156 1.764174
O 1.235517 2.083690 -0.720899
N -1.303641 2.978295 0.681355
N 3.362080 1.111893 -0.616917
C -0.668856 -0.991473 -0.178322
C 0.013180 -0.703587 1.184152
C -2.095567 -0.368101 -0.266484
C 0.147220 -0.422736 -1.385099
C -0.780410 -1.184616 2.419265
C 0.034745 -3.448146 -0.072953
C 1.140539 -3.584151 -1.134946
C -2.099256 1.865463 0.800844
C 1.999813 1.085976 -0.806492
H 1.019750 -1.162715 1.174632
H 0.186659 0.387312 1.257395
H -2.709286 -0.636176 0.608141
H -2.594141 -0.709407 -1.187780
H -0.270927 0.552984 -1.681247
H 0.109218 -1.138183 -2.220402
H -1.673142 -0.560354 2.596068
H -1.112554 -2.231669 2.303644
H -0.148249 -1.123633 3.323964
H 0.479017 -3.271446 0.926715
H -0.554646 -4.380641 -0.019448
H 1.771717 -4.461467 -0.894902
H 0.700843 -3.745035 -2.135551
H 1.792595 -2.694943 -1.172700
H -0.546114 2.975955 -0.009100
H -1.347059 3.685557 1.410266
H 3.913174 0.263791 -0.724935
H 3.808581 1.996670 -0.393105


