%chk=000297732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297732

0 1
S 3.248094 -1.444584 -0.132880
O 2.609947 -1.645583 -1.421237
O 3.908352 -2.551809 0.532051
N 2.071180 -0.910216 0.996951
C -2.056241 0.373237 0.602051
C -4.487301 0.266386 -0.226005
C -3.299248 1.170196 0.160726
C -1.030842 1.312948 1.271542
C -1.404211 -0.352484 -0.592139
C 0.863578 -0.182268 0.514137
C 0.218524 0.543699 1.715431
C -0.153323 -1.125783 -0.164535
C -5.092813 -0.422785 1.014074
C -5.569789 1.092465 -0.952977
C -6.286507 -1.306215 0.627481
C -6.766180 0.212756 -1.341557
C -7.358927 -0.497917 -0.116590
C 4.326556 -0.097513 -0.259753
C 5.276659 0.132912 0.739128
C 4.250110 0.751072 -1.368736
C 6.147774 1.222309 0.634594
C 5.119889 1.840065 -1.474691
C 6.066889 2.075226 -0.471237
H -2.370499 -0.394078 1.352441
H -4.122581 -0.525339 -0.926420
H -3.036827 1.823102 -0.693378
H -3.607757 1.857871 0.970964
H -1.488781 1.810913 2.146417
H -0.748567 2.123748 0.573822
H -1.144938 0.375017 -1.384524
H -2.133474 -1.048110 -1.051292
H 1.203101 0.583657 -0.232378
H 0.951758 1.234689 2.172895
H -0.047281 -0.182408 2.506704
H -0.429914 -1.952557 0.514044
H 0.315168 -1.605011 -1.052837
H -5.413208 0.338497 1.749515
H -4.320305 -1.031691 1.520039
H -5.143559 1.564182 -1.856896
H -5.910301 1.921011 -0.304305
H -6.722268 -1.766811 1.533244
H -5.942536 -2.144989 -0.007550
H -6.451263 -0.537164 -2.092387
H -7.542118 0.829494 -1.831540
H -8.185042 -1.162891 -0.428527
H -7.805695 0.248194 0.567922
H 1.868238 -1.541422 1.782859
H 5.348408 -0.540771 1.599137
H 3.516444 0.556848 -2.159934
H 6.888930 1.402910 1.411553
H 5.062860 2.500990 -2.338076
H 6.746035 2.924707 -0.553441


%chk=000297732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297732

0 1
S 3.282856 -1.429612 -0.145258
O 2.582164 -1.577915 -1.616837
O 4.005935 -2.685696 0.601110
N 2.083248 -0.764871 1.134132
C -2.125779 0.412599 0.705784
C -4.577754 0.289551 -0.264125
C -3.388696 1.163931 0.209876
C -1.059927 1.426642 1.197810
C -1.513284 -0.507405 -0.380605
C 0.828399 -0.167422 0.583721
C 0.235831 0.740088 1.691244
C -0.215464 -1.201559 0.097115
C -5.132736 -0.628585 0.856628
C -5.715819 1.183622 -0.825252
C -6.347563 -1.461331 0.379679
C -6.927559 0.354363 -1.311796
C -7.469036 -0.558243 -0.186058
C 4.512349 -0.004617 -0.287755
C 5.465397 0.152440 0.731541
C 4.442632 0.806294 -1.430855
C 6.397858 1.206290 0.596320
C 5.383374 1.856832 -1.546058
C 6.352235 2.056408 -0.535100
H -2.405773 -0.223102 1.573882
H -4.232080 -0.361784 -1.096971
H -3.088698 1.833367 -0.625735
H -3.747042 1.829284 1.025361
H -1.480223 2.048472 2.012816
H -0.812261 2.119351 0.365326
H -1.295364 0.099111 -1.285411
H -2.241951 -1.280324 -0.689400
H 1.124354 0.472357 -0.272260
H 0.991217 1.488006 1.992858
H 0.012110 0.121105 2.584535
H -0.453898 -1.884747 0.941201
H 0.220183 -1.809290 -0.716581
H -5.438126 0.005801 1.716767
H -4.340915 -1.308444 1.227762
H -5.325541 1.809237 -1.653243
H -6.048550 1.882151 -0.027442
H -6.735259 -2.078439 1.213831
H -6.016628 -2.165672 -0.412032
H -6.617567 -0.275257 -2.172032
H -7.727181 1.026803 -1.679465
H -8.307149 -1.177247 -0.561492
H -7.876000 0.073325 0.631235
H 1.898630 -1.596995 1.732168
H 5.487006 -0.531005 1.586031
H 3.695981 0.601824 -2.205202
H 7.157450 1.359751 1.369878
H 5.361471 2.509371 -2.425095
H 7.079340 2.869887 -0.632650


