%chk=000205819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205819

0 1
O 5.899125 0.251904 -1.152577
O -0.093556 -1.038271 2.209008
O -2.083985 1.879847 1.858391
O -1.582566 -2.210737 -0.888722
O -5.047196 0.694756 -1.630075
N 3.312921 -0.227841 -0.030681
C 4.530338 -0.925991 0.502522
C 3.693084 1.128098 -0.548810
C 2.256699 -0.129516 1.028542
C 5.560895 -1.049419 -0.631266
C 4.744688 0.954395 -1.656342
C 0.897354 0.117145 0.359225
C -0.255310 -0.439275 1.165824
C -1.586931 -0.186623 0.563257
C -2.356335 0.949584 0.891953
C -2.113381 -1.030669 -0.446479
C -3.521689 1.309163 0.192183
C -3.268782 -0.709069 -1.168961
C -3.948481 0.476804 -0.847668
C -1.158883 1.589710 2.933900
C -0.628345 -2.947261 -0.085116
C -5.844621 1.880744 -1.375474
H 4.986743 -0.400623 1.368852
H 4.230894 -1.938402 0.848222
H 2.785778 1.612332 -0.966972
H 4.090274 1.798210 0.243823
H 2.216572 -1.094686 1.588707
H 2.459755 0.655919 1.786494
H 5.187306 -1.681058 -1.456577
H 6.535620 -1.421890 -0.271240
H 5.175367 1.917985 -1.979305
H 4.339005 0.403443 -2.523249
H 0.733680 1.195410 0.162398
H 0.886639 -0.342386 -0.658715
H -4.054312 2.205933 0.486550
H -3.635709 -1.368976 -1.951477
H -1.411672 2.372465 3.661638
H -1.339297 0.592121 3.354776
H -0.131971 1.705186 2.577913
H -0.923175 -2.965387 0.970483
H -0.697606 -3.951360 -0.525920
H 0.372993 -2.530322 -0.231187
H -5.243535 2.781237 -1.531356
H -6.268871 1.840971 -0.367918
H -6.628018 1.789401 -2.139275


%chk=000205819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205819

0 1
O 6.282984 -0.040592 -0.789233
O -0.046407 -0.360767 2.439264
O -2.219969 1.785707 2.282588
O -0.950382 -1.409018 -1.250597
O -5.438068 0.338131 -0.975834
N 3.618819 -0.378790 0.339387
C 4.819831 -0.244195 1.206030
C 3.831577 0.350229 -0.937789
C 2.384181 0.032565 1.050843
C 6.063596 -0.769352 0.472478
C 5.092123 -0.175316 -1.643819
C 1.105677 -0.396291 0.301715
C -0.142411 -0.229722 1.177318
C -1.465687 0.098687 0.555717
C -2.434193 0.942989 1.192173
C -1.906322 -0.583784 -0.637821
C -3.768198 1.041664 0.716982
C -3.220215 -0.487481 -1.121911
C -4.154175 0.318635 -0.423122
C -0.895414 2.306312 2.644872
C -1.369473 -2.211631 -2.403215
C -6.461578 1.132601 -0.287522
H 4.996584 0.821517 1.502140
H 4.660131 -0.832424 2.129452
H 2.960799 0.195213 -1.600446
H 3.940306 1.451973 -0.762428
H 2.376342 -0.454640 2.041600
H 2.362271 1.140078 1.232793
H 5.939885 -1.853429 0.260736
H 6.976939 -0.608410 1.068897
H 5.313802 0.410483 -2.551502
H 4.945001 -1.243728 -1.913874
H 0.966471 0.144940 -0.648998
H 1.203847 -1.466413 0.035656
H -4.439057 1.719163 1.248611
H -3.564025 -1.025474 -2.006916
H -1.102440 3.266144 3.144020
H -0.380053 1.606456 3.321597
H -0.272609 2.473382 1.744479
H -1.688285 -1.569181 -3.246179
H -0.475345 -2.784970 -2.688766
H -2.188430 -2.903847 -2.129949
H -6.199998 2.208062 -0.288196
H -6.603313 0.784334 0.753139
H -7.383613 0.973192 -0.865071


