%chk=000225018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225018

0 1
O 1.010715 3.235725 0.555366
N 2.938799 -1.596614 -0.617254
N -2.036242 -0.977376 1.548216
N -2.644834 0.381955 -2.463326
C 0.129357 -2.239699 1.919572
C -1.410515 -2.318713 1.788192
C 0.820219 -2.054787 0.566982
C 2.326212 -1.784279 0.738203
C -2.024821 -2.874487 3.080836
C -2.191186 -0.557181 0.187147
C 2.603498 -0.251395 -1.191195
C 4.403540 -1.876058 -0.609422
C -1.494444 0.616582 -0.298298
C -3.091325 -1.202035 -0.657089
C 2.807994 -0.260399 -2.706516
C 5.264058 -0.984831 0.292504
C -1.761141 1.047477 -1.625206
C -0.546584 1.342766 0.486956
C -3.267997 -0.690039 -1.986673
C -3.904373 -2.382213 -0.245677
C -1.096331 2.209609 -2.158012
C 0.073733 2.443777 -0.060075
C -0.196923 2.897451 -1.397079
C 1.387433 2.918752 1.934851
C 2.407872 3.989062 2.266697
H 0.499774 -3.168308 2.397706
H 0.412000 -1.426434 2.613308
H -1.668164 -3.000442 0.936688
H 0.678393 -2.950442 -0.070324
H 0.357427 -1.222007 -0.003018
H 2.805678 -2.658491 1.229091
H 2.489065 -0.915424 1.409986
H -1.595734 -0.255245 2.129976
H -3.121979 -2.849723 3.033778
H -1.722127 -3.912677 3.249549
H -1.734770 -2.292440 3.961996
H 3.191003 0.571782 -0.730782
H 1.529843 -0.036988 -0.971816
H 4.759584 -1.797126 -1.661731
H 4.534532 -2.942987 -0.321041
H 2.374660 0.635815 -3.163022
H 2.321930 -1.134518 -3.161366
H 3.867418 -0.299813 -2.979431
H 6.326038 -1.230301 0.185039
H 5.006783 -1.101977 1.349495
H 5.147628 0.075161 0.039156
H -0.333584 1.009560 1.496559
H -3.963212 -1.197769 -2.668341
H -3.361047 -3.322739 -0.413803
H -4.165840 -2.335812 0.824499
H -4.850170 -2.446512 -0.800112
H -1.338444 2.511774 -3.180281
H 0.328132 3.780525 -1.758238
H 1.811561 1.900270 1.953353
H 0.483257 2.978678 2.564642
H 3.265101 3.950762 1.579754
H 1.975670 4.995357 2.167193
H 2.784778 3.880839 3.289738


%chk=000225018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225018

0 1
O 0.774012 3.460202 0.383323
N 3.152591 -1.665918 -0.524918
N -1.860863 -0.993880 1.416715
N -3.276482 0.631809 -2.305881
C 0.150190 -2.420533 1.832643
C -1.402805 -2.374600 1.725817
C 0.886409 -2.113124 0.510068
C 2.398958 -1.884883 0.732348
C -2.057208 -2.889151 3.027149
C -2.299577 -0.510079 0.170466
C 2.911543 -0.323795 -1.113302
C 4.580366 -2.067157 -0.434161
C -1.771880 0.755546 -0.323432
C -3.287353 -1.170071 -0.606015
C 3.496939 -0.151717 -2.526382
C 5.489472 -1.206626 0.488603
C -2.314823 1.289414 -1.551841
C -0.723377 1.474364 0.341791
C -3.707343 -0.550958 -1.825836
C -3.991222 -2.436207 -0.159476
C -1.830470 2.549422 -2.036643
C -0.261964 2.694191 -0.173852
C -0.832170 3.246516 -1.365492
C 1.444690 2.940050 1.589410
C 2.523170 3.951270 1.968515
H 0.449838 -3.421903 2.203318
H 0.464143 -1.696572 2.618004
H -1.707521 -3.017070 0.882226
H 0.759871 -2.948927 -0.204294
H 0.434486 -1.221437 0.039205
H 2.822456 -2.781708 1.227198
H 2.527453 -1.034224 1.455918
H -1.459304 -0.289506 2.040965
H -3.157913 -2.861909 2.953275
H -1.744651 -3.927200 3.242899
H -1.760292 -2.260732 3.888898
H 3.297783 0.496263 -0.449913
H 1.817931 -0.178660 -1.174677
H 5.004295 -2.074479 -1.454948
H 4.602173 -3.117721 -0.084812
H 3.155996 0.807232 -2.956986
H 3.153736 -0.969904 -3.184253
H 4.601825 -0.143273 -2.527979
H 6.520030 -1.608275 0.486564
H 5.126814 -1.211932 1.533049
H 5.538170 -0.156256 0.147587
H -0.249091 1.050818 1.232310
H -4.478231 -1.055459 -2.424393
H -3.421827 -3.356700 -0.394719
H -4.168078 -2.424715 0.931344
H -4.969159 -2.526108 -0.664170
H -2.274666 2.931581 -2.960685
H -0.449038 4.204570 -1.729474
H 1.885140 1.944746 1.365559
H 0.698785 2.822492 2.403387
H 3.251991 4.068624 1.148577
H 2.075359 4.937611 2.177704
H 3.062591 3.612047 2.871601


