%chk=000276200.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276200

0 1
S 0.934717 -0.378680 -1.163101
O 3.618419 -1.346811 -2.675592
O 4.180021 -1.259292 -0.504301
N 2.827312 -3.925583 -0.668887
C 0.097804 0.679447 0.111731
C -0.739178 -0.242299 0.975699
C 1.145116 1.452681 0.899424
C -0.684096 1.664373 -0.740145
C -1.790515 -1.070447 0.424370
C -0.468751 -0.317835 2.326681
C -2.499091 -1.944615 1.294734
C 1.186426 -2.008832 -0.396502
C 0.759859 2.665320 1.505502
C -0.049761 2.304895 -1.817952
C 2.461041 1.004960 1.061931
C -2.015913 1.989543 -0.436344
C -2.165914 -1.070314 -0.958874
C 2.278502 -2.673662 -1.239903
C -1.190690 -1.187448 3.190489
C -2.182394 -1.986674 2.689916
C -3.534431 -2.789290 0.780015
C 1.676047 3.415244 2.242366
C -0.754747 3.221299 -2.603545
C 3.379053 1.762085 1.801052
C -2.713147 2.911427 -1.220866
C -3.161087 -1.889941 -1.430936
C -3.857507 -2.766129 -0.552206
C 2.993317 2.966102 2.391319
C -2.087596 3.524093 -2.310847
C 3.453486 -1.699239 -1.363304
H 0.314094 0.293632 2.784698
H 0.245874 -2.592965 -0.415775
H 1.477848 -1.904959 0.666516
H -0.263186 3.027873 1.398338
H 1.000704 2.112192 -2.046361
H 2.816132 0.070323 0.619652
H -2.516785 1.522002 0.412531
H -1.660029 -0.400762 -1.659732
H 1.889011 -2.908550 -2.274606
H -0.935934 -1.199446 4.249750
H -2.744514 -2.659334 3.336253
H -4.059665 -3.447724 1.470418
H 1.365695 4.352926 2.700112
H -0.258676 3.704347 -3.444265
H 4.402254 1.401535 1.907979
H -3.747550 3.152104 -0.980350
H -3.433980 -1.877791 -2.485628
H -4.642499 -3.404710 -0.953664
H 3.709973 3.552826 2.962090
H -2.633816 4.237381 -2.924832
H 2.114125 -4.646704 -0.618999
H 3.198677 -3.780871 0.267964
H 4.362143 -0.698703 -2.811214


%chk=000276200-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276200

0 1
S 0.961313 -0.412790 -1.356585
O 4.171388 -1.978223 -2.690985
O 4.419953 -1.460609 -0.441384
N 2.844857 -4.046720 -0.488875
C 0.056803 0.696669 0.008085
C -0.774763 -0.255742 0.896259
C 1.106314 1.507874 0.820473
C -0.780099 1.716984 -0.800231
C -1.869781 -1.065778 0.373551
C -0.436689 -0.393034 2.252351
C -2.589433 -1.945666 1.280971
C 1.431851 -1.962749 -0.364812
C 0.651169 2.608850 1.599135
C -0.197132 2.386382 -1.908226
C 2.487683 1.199553 0.845576
C -2.082399 2.098569 -0.390387
C -2.282779 -1.060596 -1.004027
C 2.464920 -2.795929 -1.164339
C -1.143105 -1.265152 3.134225
C -2.208869 -2.024188 2.660877
C -3.675986 -2.745643 0.791579
C 1.547140 3.371766 2.376413
C -0.907117 3.386760 -2.604859
C 3.387951 1.963423 1.625675
C -2.791571 3.106847 -1.081086
C -3.339576 -1.856788 -1.452945
C -4.051379 -2.705762 -0.550848
C 2.925167 3.051809 2.395963
C -2.210305 3.753097 -2.194541
C 3.760789 -1.999479 -1.360835
H 0.389492 0.194661 2.659741
H 0.524378 -2.562113 -0.187404
H 1.866303 -1.649326 0.599507
H -0.410487 2.876925 1.589326
H 0.821116 2.128440 -2.221488
H 2.881302 0.380157 0.238619
H -2.548641 1.602025 0.466653
H -1.751673 -0.431586 -1.718955
H 2.063956 -3.048099 -2.160234
H -0.838157 -1.324711 4.184541
H -2.765676 -2.692827 3.328316
H -4.205512 -3.395419 1.498924
H 1.169979 4.218430 2.961417
H -0.440774 3.885559 -3.461973
H 4.451511 1.700034 1.621493
H -3.798783 3.382782 -0.748843
H -3.625741 -1.827436 -2.510086
H -4.881737 -3.320378 -0.915602
H 3.624037 3.646059 2.995454
H -2.761644 4.532273 -2.732703
H 2.210635 -4.835772 -0.616376
H 3.210271 -3.937023 0.459919
H 5.035731 -1.487392 -2.763616


